----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:55:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.432834225345309 -4.212904579999999 0.000000000000000 b 4.432834225345309 4.212904579999999 0.000000000000000 c -4.173945947012475 0.000000000000000 8.546269859259439 Atomic positions (fractional): *1 O 0.57303723150147 0.82054410628996 0.35456830928588 15.999 2 O 0.17945589371004 0.42696276849853 0.14543169071412 15.999 3 O 0.42696276849853 0.17945589371004 0.64543169071412 15.999 4 O 0.82054410628996 0.57303723150147 0.85456830928588 15.999 *5 O 0.41733050123563 0.68962158617693 0.59044769298299 15.999 6 O 0.31037841382307 0.58266949876437 0.90955230701701 15.999 7 O 0.58266949876437 0.31037841382307 0.40955230701701 15.999 8 O 0.68962158617693 0.41733050123563 0.09044769298299 15.999 *9 O 0.28365763135983 0.01619518948777 0.85545472918564 15.999 10 O 0.98380481051223 0.71634236864017 0.64454527081436 15.999 *11 O 0.14048699854338 0.93867541589785 0.10455605654610 15.999 12 O 0.06132458410215 0.85951300145662 0.39544394345390 15.999 13 O 0.85951300145662 0.06132458410215 0.89544394345390 15.999 14 O 0.93867541589785 0.14048699854338 0.60455605654610 15.999 15 O 0.01619518948777 0.28365763135983 0.35545472918564 15.999 16 O 0.71634236864017 0.98380481051223 0.14454527081436 15.999 *17 Zn 0.76200466105959 0.23799533894041 0.75000000000000 65.380 18 Zn 0.23799533894041 0.76200466105959 0.25000000000000 65.380 *19 Zn 0.36215450733046 0.32134443099895 0.00372651484853 65.380 20 Zn 0.67865556900105 0.63784549266954 0.49627348515147 65.380 21 Zn 0.63784549266954 0.67865556900105 0.99627348515147 65.380 22 Zn 0.32134443099895 0.36215450733046 0.50372651484853 65.380 *23 Ta 0.22215389365293 0.93840160941937 0.62696005731677 180.948 24 Ta 0.06159839058063 0.77784610634707 0.87303994268323 180.948 25 Ta 0.77784610634707 0.06159839058063 0.37303994268323 180.948 26 Ta 0.93840160941937 0.22215389365293 0.12696005731677 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.865668450690618 0.000000000000000 0.000000000000000 b 0.000000000000000 8.425809159999998 0.000000000000000 c -4.173945947012475 0.000000000000000 8.546269859259439 Atomic positions (fractional): *1 O 0.19679066889571 0.62375343739425 0.35456830928588 15.999 > 1 2 O 0.80320933110429 0.62375343739425 0.14543169071412 15.999 > 2 3 O 0.80320933110429 0.37624656260575 0.64543169071412 15.999 > 3 4 O 0.19679066889571 0.37624656260575 0.85456830928588 15.999 > 4 *5 O 0.05347604370628 0.63614554247065 0.59044769298299 15.999 > 5 6 O 0.94652395629372 0.63614554247065 0.90955230701701 15.999 > 6 7 O 0.94652395629372 0.36385445752935 0.40955230701701 15.999 > 7 8 O 0.05347604370628 0.36385445752935 0.09044769298299 15.999 > 8 *9 O 0.64992641042380 0.36626877906397 0.85545472918564 15.999 > 9 10 O 0.35007358957620 0.36626877906397 0.64454527081436 15.999 > 10 *11 O 0.03958120722061 0.89909420867723 0.10455605654610 15.999 > 11 12 O 0.96041879277939 0.89909420867723 0.39544394345390 15.999 > 12 13 O 0.96041879277939 0.10090579132277 0.89544394345390 15.999 > 13 14 O 0.03958120722061 0.10090579132277 0.60455605654610 15.999 > 14 15 O 0.64992641042380 0.63373122093603 0.35545472918564 15.999 > 15 16 O 0.35007358957620 0.63373122093603 0.14454527081436 15.999 > 16 17 O 0.69679066889571 0.12375343739425 0.35456830928588 15.999 > 1 18 O 0.30320933110429 0.12375343739425 0.14543169071412 15.999 > 2 19 O 0.30320933110429 0.87624656260575 0.64543169071412 15.999 > 3 20 O 0.69679066889571 0.87624656260575 0.85456830928588 15.999 > 4 21 O 0.55347604370628 0.13614554247065 0.59044769298299 15.999 > 5 22 O 0.44652395629372 0.13614554247065 0.90955230701701 15.999 > 6 23 O 0.44652395629372 0.86385445752935 0.40955230701701 15.999 > 7 24 O 0.55347604370628 0.86385445752935 0.09044769298299 15.999 > 8 25 O 0.14992641042380 0.86626877906397 0.85545472918564 15.999 > 9 26 O 0.85007358957620 0.86626877906397 0.64454527081436 15.999 > 10 27 O 0.53958120722061 0.39909420867723 0.10455605654610 15.999 > 11 28 O 0.46041879277939 0.39909420867723 0.39544394345390 15.999 > 12 29 O 0.46041879277939 0.60090579132277 0.89544394345390 15.999 > 13 30 O 0.53958120722061 0.60090579132277 0.60455605654610 15.999 > 14 31 O 0.14992641042380 0.13373122093603 0.35545472918564 15.999 > 15 32 O 0.85007358957620 0.13373122093603 0.14454527081436 15.999 > 16 *33 Zn 0.00000000000000 0.23799533894041 0.75000000000000 65.380 > 17 34 Zn 0.00000000000000 0.76200466105959 0.25000000000000 65.380 > 18 *35 Zn 0.84174946916471 0.47959496183425 0.00372651484853 65.380 > 19 36 Zn 0.15825053083529 0.47959496183425 0.49627348515147 65.380 > 20 37 Zn 0.15825053083529 0.52040503816575 0.99627348515147 65.380 > 21 38 Zn 0.84174946916471 0.52040503816575 0.50372651484853 65.380 > 22 39 Zn 0.50000000000000 0.73799533894041 0.75000000000000 65.380 > 17 40 Zn 0.50000000000000 0.26200466105959 0.25000000000000 65.380 > 18 41 Zn 0.34174946916471 0.97959496183425 0.00372651484853 65.380 > 19 42 Zn 0.65825053083529 0.97959496183425 0.49627348515147 65.380 > 20 43 Zn 0.65825053083529 0.02040503816575 0.99627348515147 65.380 > 21 44 Zn 0.34174946916471 0.02040503816575 0.50372651484853 65.380 > 22 *45 Ta 0.08027775153615 0.85812385788322 0.62696005731677 180.948 > 23 46 Ta 0.91972224846385 0.85812385788322 0.87303994268323 180.948 > 24 47 Ta 0.91972224846385 0.14187614211678 0.37303994268323 180.948 > 25 48 Ta 0.08027775153615 0.14187614211678 0.12696005731677 180.948 > 26 49 Ta 0.58027775153615 0.35812385788322 0.62696005731677 180.948 > 23 50 Ta 0.41972224846385 0.35812385788322 0.87303994268323 180.948 > 24 51 Ta 0.41972224846385 0.64187614211678 0.37303994268323 180.948 > 25 52 Ta 0.58027775153615 0.64187614211678 0.12696005731677 180.948 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.865668450690618 0.000000000000000 0.000000000000000 b 0.000000000000000 16.851618319999996 0.000000000000000 c -4.173945947012475 0.000000000000000 8.546269859259439 Atomic positions (fractional): *1 O 0.19679066889571 0.31187671869712 0.35456830928588 15.999 > 1 2 O 0.19679066889571 0.81187671869712 0.35456830928588 15.999 > 1 3 O 0.80320933110429 0.31187671869712 0.14543169071412 15.999 > 2 4 O 0.80320933110429 0.81187671869712 0.14543169071412 15.999 > 2 5 O 0.80320933110429 0.18812328130288 0.64543169071412 15.999 > 3 6 O 0.80320933110429 0.68812328130288 0.64543169071412 15.999 > 3 7 O 0.19679066889571 0.18812328130288 0.85456830928588 15.999 > 4 8 O 0.19679066889571 0.68812328130288 0.85456830928588 15.999 > 4 *9 O 0.05347604370628 0.31807277123533 0.59044769298299 15.999 > 5 10 O 0.05347604370628 0.81807277123533 0.59044769298299 15.999 > 5 11 O 0.94652395629372 0.31807277123533 0.90955230701701 15.999 > 6 12 O 0.94652395629372 0.81807277123533 0.90955230701701 15.999 > 6 13 O 0.94652395629372 0.18192722876467 0.40955230701701 15.999 > 7 14 O 0.94652395629372 0.68192722876467 0.40955230701701 15.999 > 7 15 O 0.05347604370628 0.18192722876467 0.09044769298299 15.999 > 8 16 O 0.05347604370628 0.68192722876467 0.09044769298299 15.999 > 8 *17 O 0.64992641042380 0.18313438953199 0.85545472918564 15.999 > 9 18 O 0.64992641042380 0.68313438953199 0.85545472918564 15.999 > 9 19 O 0.35007358957620 0.18313438953199 0.64454527081436 15.999 > 10 20 O 0.35007358957620 0.68313438953199 0.64454527081436 15.999 > 10 *21 O 0.03958120722061 0.44954710433862 0.10455605654610 15.999 > 11 22 O 0.03958120722061 0.94954710433862 0.10455605654610 15.999 > 11 23 O 0.96041879277939 0.44954710433862 0.39544394345390 15.999 > 12 24 O 0.96041879277939 0.94954710433862 0.39544394345390 15.999 > 12 25 O 0.96041879277939 0.05045289566138 0.89544394345390 15.999 > 13 26 O 0.96041879277939 0.55045289566138 0.89544394345390 15.999 > 13 27 O 0.03958120722061 0.05045289566138 0.60455605654610 15.999 > 14 28 O 0.03958120722061 0.55045289566138 0.60455605654610 15.999 > 14 29 O 0.64992641042380 0.31686561046801 0.35545472918564 15.999 > 15 30 O 0.64992641042380 0.81686561046801 0.35545472918564 15.999 > 15 31 O 0.35007358957620 0.31686561046801 0.14454527081436 15.999 > 16 32 O 0.35007358957620 0.81686561046801 0.14454527081436 15.999 > 16 33 O 0.69679066889571 0.06187671869712 0.35456830928588 15.999 > 1 34 O 0.69679066889571 0.56187671869712 0.35456830928588 15.999 > 1 35 O 0.30320933110429 0.06187671869712 0.14543169071412 15.999 > 2 36 O 0.30320933110429 0.56187671869712 0.14543169071412 15.999 > 2 37 O 0.30320933110429 0.43812328130288 0.64543169071412 15.999 > 3 38 O 0.30320933110429 0.93812328130288 0.64543169071412 15.999 > 3 39 O 0.69679066889571 0.43812328130288 0.85456830928588 15.999 > 4 40 O 0.69679066889571 0.93812328130288 0.85456830928588 15.999 > 4 41 O 0.55347604370628 0.06807277123532 0.59044769298299 15.999 > 5 42 O 0.55347604370628 0.56807277123532 0.59044769298299 15.999 > 5 43 O 0.44652395629372 0.06807277123532 0.90955230701701 15.999 > 6 44 O 0.44652395629372 0.56807277123532 0.90955230701701 15.999 > 6 45 O 0.44652395629372 0.43192722876467 0.40955230701701 15.999 > 7 46 O 0.44652395629372 0.93192722876467 0.40955230701701 15.999 > 7 47 O 0.55347604370628 0.43192722876467 0.09044769298299 15.999 > 8 48 O 0.55347604370628 0.93192722876467 0.09044769298299 15.999 > 8 49 O 0.14992641042380 0.43313438953199 0.85545472918564 15.999 > 9 50 O 0.14992641042380 0.93313438953199 0.85545472918564 15.999 > 9 51 O 0.85007358957620 0.43313438953199 0.64454527081436 15.999 > 10 52 O 0.85007358957620 0.93313438953199 0.64454527081436 15.999 > 10 53 O 0.53958120722061 0.19954710433862 0.10455605654610 15.999 > 11 54 O 0.53958120722061 0.69954710433862 0.10455605654610 15.999 > 11 55 O 0.46041879277939 0.19954710433862 0.39544394345390 15.999 > 12 56 O 0.46041879277939 0.69954710433862 0.39544394345390 15.999 > 12 57 O 0.46041879277939 0.30045289566138 0.89544394345390 15.999 > 13 58 O 0.46041879277939 0.80045289566138 0.89544394345390 15.999 > 13 59 O 0.53958120722061 0.30045289566138 0.60455605654610 15.999 > 14 60 O 0.53958120722061 0.80045289566138 0.60455605654610 15.999 > 14 61 O 0.14992641042380 0.06686561046801 0.35545472918564 15.999 > 15 62 O 0.14992641042380 0.56686561046801 0.35545472918564 15.999 > 15 63 O 0.85007358957620 0.06686561046801 0.14454527081436 15.999 > 16 64 O 0.85007358957620 0.56686561046801 0.14454527081436 15.999 > 16 *65 Zn 0.00000000000000 0.11899766947020 0.75000000000000 65.380 > 17 66 Zn 0.00000000000000 0.61899766947020 0.75000000000000 65.380 > 17 67 Zn 0.00000000000000 0.38100233052980 0.25000000000000 65.380 > 18 68 Zn 0.00000000000000 0.88100233052980 0.25000000000000 65.380 > 18 *69 Zn 0.84174946916471 0.23979748091712 0.00372651484853 65.380 > 19 70 Zn 0.84174946916471 0.73979748091712 0.00372651484853 65.380 > 19 71 Zn 0.15825053083529 0.23979748091712 0.49627348515147 65.380 > 20 72 Zn 0.15825053083529 0.73979748091712 0.49627348515147 65.380 > 20 73 Zn 0.15825053083529 0.26020251908288 0.99627348515147 65.380 > 21 74 Zn 0.15825053083529 0.76020251908288 0.99627348515147 65.380 > 21 75 Zn 0.84174946916471 0.26020251908288 0.50372651484853 65.380 > 22 76 Zn 0.84174946916471 0.76020251908288 0.50372651484853 65.380 > 22 77 Zn 0.50000000000000 0.36899766947020 0.75000000000000 65.380 > 17 78 Zn 0.50000000000000 0.86899766947020 0.75000000000000 65.380 > 17 79 Zn 0.50000000000000 0.13100233052980 0.25000000000000 65.380 > 18 80 Zn 0.50000000000000 0.63100233052980 0.25000000000000 65.380 > 18 81 Zn 0.34174946916471 0.48979748091712 0.00372651484853 65.380 > 19 82 Zn 0.34174946916471 0.98979748091712 0.00372651484853 65.380 > 19 83 Zn 0.65825053083529 0.48979748091712 0.49627348515147 65.380 > 20 84 Zn 0.65825053083529 0.98979748091712 0.49627348515147 65.380 > 20 85 Zn 0.65825053083529 0.01020251908288 0.99627348515147 65.380 > 21 86 Zn 0.65825053083529 0.51020251908288 0.99627348515147 65.380 > 21 87 Zn 0.34174946916471 0.01020251908288 0.50372651484853 65.380 > 22 88 Zn 0.34174946916471 0.51020251908288 0.50372651484853 65.380 > 22 *89 Ta 0.08027775153615 0.42906192894161 0.62696005731677 180.948 > 23 90 Ta 0.08027775153615 0.92906192894161 0.62696005731677 180.948 > 23 91 Ta 0.91972224846385 0.42906192894161 0.87303994268323 180.948 > 24 92 Ta 0.91972224846385 0.92906192894161 0.87303994268323 180.948 > 24 93 Ta 0.91972224846385 0.07093807105839 0.37303994268323 180.948 > 25 94 Ta 0.91972224846385 0.57093807105839 0.37303994268323 180.948 > 25 95 Ta 0.08027775153615 0.07093807105839 0.12696005731677 180.948 > 26 96 Ta 0.08027775153615 0.57093807105839 0.12696005731677 180.948 > 26 97 Ta 0.58027775153615 0.17906192894161 0.62696005731677 180.948 > 23 98 Ta 0.58027775153615 0.67906192894161 0.62696005731677 180.948 > 23 99 Ta 0.41972224846385 0.17906192894161 0.87303994268323 180.948 > 24 100 Ta 0.41972224846385 0.67906192894161 0.87303994268323 180.948 > 24 101 Ta 0.41972224846385 0.32093807105839 0.37303994268323 180.948 > 25 102 Ta 0.41972224846385 0.82093807105839 0.37303994268323 180.948 > 25 103 Ta 0.58027775153615 0.32093807105839 0.12696005731677 180.948 > 26 104 Ta 0.58027775153615 0.82093807105839 0.12696005731677 180.948 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5711234 0.0000000 -0.1659001 0.0000000 4.5635391 0.0000000 -0.1659052 0.0000000 4.4545437 -------------------------- Born effective charges -------------------------- 1 O -3.8508099 -0.1055983 -0.2050675 0.1903450 -1.5078309 0.3220049 -0.1091855 0.4738604 -1.4644029 2 O -3.8508099 0.1055983 -0.2050675 -0.1903450 -1.5078309 -0.3220049 -0.1091855 -0.4738604 -1.4644029 3 O -3.8508099 -0.1055983 -0.2050675 0.1903450 -1.5078309 0.3220049 -0.1091855 0.4738604 -1.4644029 4 O -3.8508099 0.1055983 -0.2050675 -0.1903450 -1.5078309 -0.3220049 -0.1091855 -0.4738604 -1.4644029 5 O -1.6800116 0.0383057 0.0564857 -0.1460666 -3.9600837 -0.8854350 -0.0710085 -0.6777851 -1.3093819 6 O -1.6800116 -0.0383057 0.0564857 0.1460666 -3.9600837 0.8854350 -0.0710085 0.6777851 -1.3093819 7 O -1.6800116 0.0383057 0.0564857 -0.1460666 -3.9600837 -0.8854350 -0.0710085 -0.6777851 -1.3093819 8 O -1.6800116 -0.0383057 0.0564857 0.1460666 -3.9600837 0.8854350 -0.0710085 0.6777851 -1.3093819 9 O -2.7661290 -0.1491624 0.5088553 -0.0861452 -1.1753061 -0.2773183 0.6185698 -0.3551723 -3.3207667 10 O -2.7661290 0.1491624 0.5088553 0.0861452 -1.1753061 0.2773183 0.6185698 0.3551723 -3.3207667 11 O -1.2552071 -0.2953187 0.2605095 -0.4005286 -2.8119423 -0.4691098 0.2158079 -0.3415191 -3.0887587 12 O -1.2552071 0.2953187 0.2605095 0.4005286 -2.8119423 0.4691098 0.2158079 0.3415191 -3.0887587 13 O -1.2552071 -0.2953187 0.2605095 -0.4005286 -2.8119423 -0.4691098 0.2158079 -0.3415191 -3.0887587 14 O -1.2552071 0.2953187 0.2605095 0.4005286 -2.8119423 0.4691098 0.2158079 0.3415191 -3.0887587 15 O -2.7661290 0.1491624 0.5088553 0.0861452 -1.1753061 0.2773183 0.6185698 0.3551723 -3.3207667 16 O -2.7661290 -0.1491624 0.5088553 -0.0861452 -1.1753061 -0.2773183 0.6185698 -0.3551723 -3.3207667 17 Zn 2.4889116 0.0000000 0.2762806 0.0000000 2.3010786 0.0000000 -0.0839809 0.0000000 2.4740202 18 Zn 2.4889116 0.0000000 0.2762806 0.0000000 2.3010786 0.0000000 -0.0839809 0.0000000 2.4740202 19 Zn 2.4609785 -0.1296845 0.0017552 -0.0951874 2.5069130 -0.1775061 0.2629897 0.1807929 2.0901030 20 Zn 2.4609785 0.1296845 0.0017552 0.0951874 2.5069130 0.1775061 0.2629897 -0.1807929 2.0901030 21 Zn 2.4609785 -0.1296845 0.0017552 -0.0951874 2.5069130 -0.1775061 0.2629897 0.1807929 2.0901030 22 Zn 2.4609785 0.1296845 0.0017552 0.0951874 2.5069130 0.1775061 0.2629897 -0.1807929 2.0901030 23 Ta 5.8467233 -0.1175951 -0.7606784 -0.2606027 5.7977108 -0.2550273 -0.8751828 -0.2121308 5.8561970 24 Ta 5.8467233 0.1175951 -0.7606784 0.2606027 5.7977108 0.2550273 -0.8751828 0.2121308 5.8561970 25 Ta 5.8467233 -0.1175951 -0.7606784 -0.2606027 5.7977108 -0.2550273 -0.8751828 -0.2121308 5.8561970 26 Ta 5.8467233 0.1175951 -0.7606784 0.2606027 5.7977108 0.2550273 -0.8751828 0.2121308 5.8561970 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 173 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 160 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 160 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 12), data: (672, 24) @ (24, 12) |-- (172, 160), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 12), data: (672, 24) @ (24, 12) |-- (172, 160), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 7), data: (680, 20) @ (20, 7) |-- (180, 173), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 800 - Time: 1.186 Solver_block: 200 / 800 - Time: 1.109 Solver_block: 300 / 800 - Time: 1.109 Solver_block: 400 / 800 - Time: 1.101 Solver_block: 500 / 800 - Time: 1.105 Solver_block: 600 / 800 - Time: 1.102 Solver_block: 700 / 800 - Time: 1.106 Solver_block: 800 / 800 - Time: 1.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.071 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 15018/15018 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3161 Number of blocks in projector: 3161 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 680 Use submatrix version of eigh solver. (1) Block: 500 / 680 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 680 / 680 (1) 173 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 160 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 672 / 672 (1) 160 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3161, 3103), data: False |-- (379, 372), data: True |-- (379, 372), data: True |-- (379, 372), data: True |-- (672, 660), data: False |-- (672, 12), data: (672, 24) @ (24, 12) |-- (172, 160), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (672, 660), data: False |-- (672, 12), data: (672, 24) @ (24, 12) |-- (172, 160), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (680, 667), data: False |-- (680, 7), data: (680, 20) @ (20, 7) |-- (180, 173), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:56:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:56:05]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.432834225345309 -4.212904579999999 0.000000000000000 b 4.432834225345309 4.212904579999999 0.000000000000000 c -4.173945947012475 0.000000000000000 8.546269859259439 Atomic positions (fractional): 1 O 0.57303723150147 0.82054410628996 0.35456830928588 15.999 2 O 0.17945589371004 0.42696276849853 0.14543169071412 15.999 3 O 0.42696276849853 0.17945589371004 0.64543169071412 15.999 4 O 0.82054410628996 0.57303723150147 0.85456830928588 15.999 5 O 0.41733050123563 0.68962158617693 0.59044769298299 15.999 6 O 0.31037841382307 0.58266949876437 0.90955230701701 15.999 7 O 0.58266949876437 0.31037841382307 0.40955230701701 15.999 8 O 0.68962158617693 0.41733050123563 0.09044769298299 15.999 9 O 0.28365763135983 0.01619518948777 0.85545472918564 15.999 10 O 0.98380481051223 0.71634236864017 0.64454527081436 15.999 11 O 0.14048699854338 0.93867541589785 0.10455605654610 15.999 12 O 0.06132458410215 0.85951300145662 0.39544394345390 15.999 13 O 0.85951300145662 0.06132458410215 0.89544394345390 15.999 14 O 0.93867541589785 0.14048699854338 0.60455605654610 15.999 15 O 0.01619518948777 0.28365763135983 0.35545472918564 15.999 16 O 0.71634236864017 0.98380481051223 0.14454527081436 15.999 17 Zn 0.76200466105959 0.23799533894041 0.75000000000000 65.380 18 Zn 0.23799533894041 0.76200466105959 0.25000000000000 65.380 19 Zn 0.36215450733046 0.32134443099895 0.00372651484853 65.380 20 Zn 0.67865556900105 0.63784549266954 0.49627348515147 65.380 21 Zn 0.63784549266954 0.67865556900105 0.99627348515147 65.380 22 Zn 0.32134443099895 0.36215450733046 0.50372651484853 65.380 23 Ta 0.22215389365293 0.93840160941937 0.62696005731677 180.948 24 Ta 0.06159839058063 0.77784610634707 0.87303994268323 180.948 25 Ta 0.77784610634707 0.06159839058063 0.37303994268323 180.948 26 Ta 0.93840160941937 0.22215389365293 0.12696005731677 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.865668450690618 0.000000000000000 0.000000000000000 b 0.000000000000000 16.851618319999996 0.000000000000000 c -4.173945947012475 0.000000000000000 8.546269859259439 Atomic positions (fractional): 1 O 0.19679066889571 0.31187671869712 0.35456830928588 15.999 > 1 2 O 0.19679066889571 0.81187671869712 0.35456830928588 15.999 > 1 3 O 0.80320933110429 0.31187671869712 0.14543169071412 15.999 > 3 4 O 0.80320933110429 0.81187671869712 0.14543169071412 15.999 > 3 5 O 0.80320933110429 0.18812328130288 0.64543169071412 15.999 > 5 6 O 0.80320933110429 0.68812328130288 0.64543169071412 15.999 > 5 7 O 0.19679066889571 0.18812328130288 0.85456830928588 15.999 > 7 8 O 0.19679066889571 0.68812328130288 0.85456830928588 15.999 > 7 9 O 0.05347604370628 0.31807277123533 0.59044769298299 15.999 > 9 10 O 0.05347604370628 0.81807277123533 0.59044769298299 15.999 > 9 11 O 0.94652395629372 0.31807277123533 0.90955230701701 15.999 > 11 12 O 0.94652395629372 0.81807277123533 0.90955230701701 15.999 > 11 13 O 0.94652395629372 0.18192722876467 0.40955230701701 15.999 > 13 14 O 0.94652395629372 0.68192722876467 0.40955230701701 15.999 > 13 15 O 0.05347604370628 0.18192722876467 0.09044769298299 15.999 > 15 16 O 0.05347604370628 0.68192722876467 0.09044769298299 15.999 > 15 17 O 0.64992641042380 0.18313438953199 0.85545472918564 15.999 > 17 18 O 0.64992641042380 0.68313438953199 0.85545472918564 15.999 > 17 19 O 0.35007358957620 0.18313438953199 0.64454527081436 15.999 > 19 20 O 0.35007358957620 0.68313438953199 0.64454527081436 15.999 > 19 21 O 0.03958120722061 0.44954710433862 0.10455605654610 15.999 > 21 22 O 0.03958120722061 0.94954710433862 0.10455605654610 15.999 > 21 23 O 0.96041879277939 0.44954710433862 0.39544394345390 15.999 > 23 24 O 0.96041879277939 0.94954710433862 0.39544394345390 15.999 > 23 25 O 0.96041879277939 0.05045289566138 0.89544394345390 15.999 > 25 26 O 0.96041879277939 0.55045289566138 0.89544394345390 15.999 > 25 27 O 0.03958120722061 0.05045289566138 0.60455605654610 15.999 > 27 28 O 0.03958120722061 0.55045289566138 0.60455605654610 15.999 > 27 29 O 0.64992641042380 0.31686561046801 0.35545472918564 15.999 > 29 30 O 0.64992641042380 0.81686561046801 0.35545472918564 15.999 > 29 31 O 0.35007358957620 0.31686561046801 0.14454527081436 15.999 > 31 32 O 0.35007358957620 0.81686561046801 0.14454527081436 15.999 > 31 33 O 0.69679066889571 0.06187671869712 0.35456830928588 15.999 > 1 34 O 0.69679066889571 0.56187671869712 0.35456830928588 15.999 > 1 35 O 0.30320933110429 0.06187671869712 0.14543169071412 15.999 > 3 36 O 0.30320933110429 0.56187671869712 0.14543169071412 15.999 > 3 37 O 0.30320933110429 0.43812328130288 0.64543169071412 15.999 > 5 38 O 0.30320933110429 0.93812328130288 0.64543169071412 15.999 > 5 39 O 0.69679066889571 0.43812328130288 0.85456830928588 15.999 > 7 40 O 0.69679066889571 0.93812328130288 0.85456830928588 15.999 > 7 41 O 0.55347604370628 0.06807277123532 0.59044769298299 15.999 > 9 42 O 0.55347604370628 0.56807277123532 0.59044769298299 15.999 > 9 43 O 0.44652395629372 0.06807277123532 0.90955230701701 15.999 > 11 44 O 0.44652395629372 0.56807277123532 0.90955230701701 15.999 > 11 45 O 0.44652395629372 0.43192722876467 0.40955230701701 15.999 > 13 46 O 0.44652395629372 0.93192722876467 0.40955230701701 15.999 > 13 47 O 0.55347604370628 0.43192722876467 0.09044769298299 15.999 > 15 48 O 0.55347604370628 0.93192722876467 0.09044769298299 15.999 > 15 49 O 0.14992641042380 0.43313438953199 0.85545472918564 15.999 > 17 50 O 0.14992641042380 0.93313438953199 0.85545472918564 15.999 > 17 51 O 0.85007358957620 0.43313438953199 0.64454527081436 15.999 > 19 52 O 0.85007358957620 0.93313438953199 0.64454527081436 15.999 > 19 53 O 0.53958120722061 0.19954710433862 0.10455605654610 15.999 > 21 54 O 0.53958120722061 0.69954710433862 0.10455605654610 15.999 > 21 55 O 0.46041879277939 0.19954710433862 0.39544394345390 15.999 > 23 56 O 0.46041879277939 0.69954710433862 0.39544394345390 15.999 > 23 57 O 0.46041879277939 0.30045289566138 0.89544394345390 15.999 > 25 58 O 0.46041879277939 0.80045289566138 0.89544394345390 15.999 > 25 59 O 0.53958120722061 0.30045289566138 0.60455605654610 15.999 > 27 60 O 0.53958120722061 0.80045289566138 0.60455605654610 15.999 > 27 61 O 0.14992641042380 0.06686561046801 0.35545472918564 15.999 > 29 62 O 0.14992641042380 0.56686561046801 0.35545472918564 15.999 > 29 63 O 0.85007358957620 0.06686561046801 0.14454527081436 15.999 > 31 64 O 0.85007358957620 0.56686561046801 0.14454527081436 15.999 > 31 65 Zn 0.00000000000000 0.11899766947020 0.75000000000000 65.380 > 65 66 Zn 0.00000000000000 0.61899766947020 0.75000000000000 65.380 > 65 67 Zn 0.00000000000000 0.38100233052980 0.25000000000000 65.380 > 67 68 Zn 0.00000000000000 0.88100233052980 0.25000000000000 65.380 > 67 69 Zn 0.84174946916471 0.23979748091712 0.00372651484853 65.380 > 69 70 Zn 0.84174946916471 0.73979748091712 0.00372651484853 65.380 > 69 71 Zn 0.15825053083529 0.23979748091712 0.49627348515147 65.380 > 71 72 Zn 0.15825053083529 0.73979748091712 0.49627348515147 65.380 > 71 73 Zn 0.15825053083529 0.26020251908288 0.99627348515147 65.380 > 73 74 Zn 0.15825053083529 0.76020251908288 0.99627348515147 65.380 > 73 75 Zn 0.84174946916471 0.26020251908288 0.50372651484853 65.380 > 75 76 Zn 0.84174946916471 0.76020251908288 0.50372651484853 65.380 > 75 77 Zn 0.50000000000000 0.36899766947020 0.75000000000000 65.380 > 65 78 Zn 0.50000000000000 0.86899766947020 0.75000000000000 65.380 > 65 79 Zn 0.50000000000000 0.13100233052980 0.25000000000000 65.380 > 67 80 Zn 0.50000000000000 0.63100233052980 0.25000000000000 65.380 > 67 81 Zn 0.34174946916471 0.48979748091712 0.00372651484853 65.380 > 69 82 Zn 0.34174946916471 0.98979748091712 0.00372651484853 65.380 > 69 83 Zn 0.65825053083529 0.48979748091712 0.49627348515147 65.380 > 71 84 Zn 0.65825053083529 0.98979748091712 0.49627348515147 65.380 > 71 85 Zn 0.65825053083529 0.01020251908288 0.99627348515147 65.380 > 73 86 Zn 0.65825053083529 0.51020251908288 0.99627348515147 65.380 > 73 87 Zn 0.34174946916471 0.01020251908288 0.50372651484853 65.380 > 75 88 Zn 0.34174946916471 0.51020251908288 0.50372651484853 65.380 > 75 89 Ta 0.08027775153615 0.42906192894161 0.62696005731677 180.948 > 89 90 Ta 0.08027775153615 0.92906192894161 0.62696005731677 180.948 > 89 91 Ta 0.91972224846385 0.42906192894161 0.87303994268323 180.948 > 91 92 Ta 0.91972224846385 0.92906192894161 0.87303994268323 180.948 > 91 93 Ta 0.91972224846385 0.07093807105839 0.37303994268323 180.948 > 93 94 Ta 0.91972224846385 0.57093807105839 0.37303994268323 180.948 > 93 95 Ta 0.08027775153615 0.07093807105839 0.12696005731677 180.948 > 95 96 Ta 0.08027775153615 0.57093807105839 0.12696005731677 180.948 > 95 97 Ta 0.58027775153615 0.17906192894161 0.62696005731677 180.948 > 89 98 Ta 0.58027775153615 0.67906192894161 0.62696005731677 180.948 > 89 99 Ta 0.41972224846385 0.17906192894161 0.87303994268323 180.948 > 91 100 Ta 0.41972224846385 0.67906192894161 0.87303994268323 180.948 > 91 101 Ta 0.41972224846385 0.32093807105839 0.37303994268323 180.948 > 93 102 Ta 0.41972224846385 0.82093807105839 0.37303994268323 180.948 > 93 103 Ta 0.58027775153615 0.32093807105839 0.12696005731677 180.948 > 95 104 Ta 0.58027775153615 0.82093807105839 0.12696005731677 180.948 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5711234 0.0000000 -0.1659001 0.0000000 4.5635391 0.0000000 -0.1659052 0.0000000 4.4545437 -------------------------- Born effective charges -------------------------- 1 O -3.8508099 -0.1055983 -0.2050675 0.1903450 -1.5078309 0.3220049 -0.1091855 0.4738604 -1.4644029 2 O -3.8508099 0.1055983 -0.2050675 -0.1903450 -1.5078309 -0.3220049 -0.1091855 -0.4738604 -1.4644029 3 O -3.8508099 -0.1055983 -0.2050675 0.1903450 -1.5078309 0.3220049 -0.1091855 0.4738604 -1.4644029 4 O -3.8508099 0.1055983 -0.2050675 -0.1903450 -1.5078309 -0.3220049 -0.1091855 -0.4738604 -1.4644029 5 O -1.6800116 0.0383057 0.0564857 -0.1460666 -3.9600837 -0.8854350 -0.0710085 -0.6777851 -1.3093819 6 O -1.6800116 -0.0383057 0.0564857 0.1460666 -3.9600837 0.8854350 -0.0710085 0.6777851 -1.3093819 7 O -1.6800116 0.0383057 0.0564857 -0.1460666 -3.9600837 -0.8854350 -0.0710085 -0.6777851 -1.3093819 8 O -1.6800116 -0.0383057 0.0564857 0.1460666 -3.9600837 0.8854350 -0.0710085 0.6777851 -1.3093819 9 O -2.7661290 -0.1491624 0.5088553 -0.0861452 -1.1753061 -0.2773183 0.6185698 -0.3551723 -3.3207667 10 O -2.7661290 0.1491624 0.5088553 0.0861452 -1.1753061 0.2773183 0.6185698 0.3551723 -3.3207667 11 O -1.2552071 -0.2953187 0.2605095 -0.4005286 -2.8119423 -0.4691098 0.2158079 -0.3415191 -3.0887587 12 O -1.2552071 0.2953187 0.2605095 0.4005286 -2.8119423 0.4691098 0.2158079 0.3415191 -3.0887587 13 O -1.2552071 -0.2953187 0.2605095 -0.4005286 -2.8119423 -0.4691098 0.2158079 -0.3415191 -3.0887587 14 O -1.2552071 0.2953187 0.2605095 0.4005286 -2.8119423 0.4691098 0.2158079 0.3415191 -3.0887587 15 O -2.7661290 0.1491624 0.5088553 0.0861452 -1.1753061 0.2773183 0.6185698 0.3551723 -3.3207667 16 O -2.7661290 -0.1491624 0.5088553 -0.0861452 -1.1753061 -0.2773183 0.6185698 -0.3551723 -3.3207667 17 Zn 2.4889116 0.0000000 0.2762806 0.0000000 2.3010786 0.0000000 -0.0839809 0.0000000 2.4740202 18 Zn 2.4889116 0.0000000 0.2762806 0.0000000 2.3010786 0.0000000 -0.0839809 0.0000000 2.4740202 19 Zn 2.4609785 -0.1296845 0.0017552 -0.0951874 2.5069130 -0.1775061 0.2629897 0.1807929 2.0901030 20 Zn 2.4609785 0.1296845 0.0017552 0.0951874 2.5069130 0.1775061 0.2629897 -0.1807929 2.0901030 21 Zn 2.4609785 -0.1296845 0.0017552 -0.0951874 2.5069130 -0.1775061 0.2629897 0.1807929 2.0901030 22 Zn 2.4609785 0.1296845 0.0017552 0.0951874 2.5069130 0.1775061 0.2629897 -0.1807929 2.0901030 23 Ta 5.8467233 -0.1175951 -0.7606784 -0.2606027 5.7977108 -0.2550273 -0.8751828 -0.2121308 5.8561970 24 Ta 5.8467233 0.1175951 -0.7606784 0.2606027 5.7977108 0.2550273 -0.8751828 0.2121308 5.8561970 25 Ta 5.8467233 -0.1175951 -0.7606784 -0.2606027 5.7977108 -0.2550273 -0.8751828 -0.2121308 5.8561970 26 Ta 5.8467233 0.1175951 -0.7606784 0.2606027 5.7977108 0.2550273 -0.8751828 0.2121308 5.8561970 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:56:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:56:44]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.432834225345309 -4.212904579999999 0.000000000000000 b 4.432834225345309 4.212904579999999 0.000000000000000 c -4.173945947012475 0.000000000000000 8.546269859259439 Atomic positions (fractional): 1 O 0.57303723150147 0.82054410628996 0.35456830928588 15.999 2 O 0.17945589371004 0.42696276849853 0.14543169071412 15.999 3 O 0.42696276849853 0.17945589371004 0.64543169071412 15.999 4 O 0.82054410628996 0.57303723150147 0.85456830928588 15.999 5 O 0.41733050123563 0.68962158617693 0.59044769298299 15.999 6 O 0.31037841382307 0.58266949876437 0.90955230701701 15.999 7 O 0.58266949876437 0.31037841382307 0.40955230701701 15.999 8 O 0.68962158617693 0.41733050123563 0.09044769298299 15.999 9 O 0.28365763135983 0.01619518948777 0.85545472918564 15.999 10 O 0.98380481051223 0.71634236864017 0.64454527081436 15.999 11 O 0.14048699854338 0.93867541589785 0.10455605654610 15.999 12 O 0.06132458410215 0.85951300145662 0.39544394345390 15.999 13 O 0.85951300145662 0.06132458410215 0.89544394345390 15.999 14 O 0.93867541589785 0.14048699854338 0.60455605654610 15.999 15 O 0.01619518948777 0.28365763135983 0.35545472918564 15.999 16 O 0.71634236864017 0.98380481051223 0.14454527081436 15.999 17 Zn 0.76200466105959 0.23799533894041 0.75000000000000 65.380 18 Zn 0.23799533894041 0.76200466105959 0.25000000000000 65.380 19 Zn 0.36215450733046 0.32134443099895 0.00372651484853 65.380 20 Zn 0.67865556900105 0.63784549266954 0.49627348515147 65.380 21 Zn 0.63784549266954 0.67865556900105 0.99627348515147 65.380 22 Zn 0.32134443099895 0.36215450733046 0.50372651484853 65.380 23 Ta 0.22215389365293 0.93840160941937 0.62696005731677 180.948 24 Ta 0.06159839058063 0.77784610634707 0.87303994268323 180.948 25 Ta 0.77784610634707 0.06159839058063 0.37303994268323 180.948 26 Ta 0.93840160941937 0.22215389365293 0.12696005731677 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.865668450690618 0.000000000000000 0.000000000000000 b 0.000000000000000 16.851618319999996 0.000000000000000 c -4.173945947012475 0.000000000000000 8.546269859259439 Atomic positions (fractional): 1 O 0.19679066889571 0.31187671869712 0.35456830928588 15.999 > 1 2 O 0.19679066889571 0.81187671869712 0.35456830928588 15.999 > 1 3 O 0.80320933110429 0.31187671869712 0.14543169071412 15.999 > 3 4 O 0.80320933110429 0.81187671869712 0.14543169071412 15.999 > 3 5 O 0.80320933110429 0.18812328130288 0.64543169071412 15.999 > 5 6 O 0.80320933110429 0.68812328130288 0.64543169071412 15.999 > 5 7 O 0.19679066889571 0.18812328130288 0.85456830928588 15.999 > 7 8 O 0.19679066889571 0.68812328130288 0.85456830928588 15.999 > 7 9 O 0.05347604370628 0.31807277123533 0.59044769298299 15.999 > 9 10 O 0.05347604370628 0.81807277123533 0.59044769298299 15.999 > 9 11 O 0.94652395629372 0.31807277123533 0.90955230701701 15.999 > 11 12 O 0.94652395629372 0.81807277123533 0.90955230701701 15.999 > 11 13 O 0.94652395629372 0.18192722876467 0.40955230701701 15.999 > 13 14 O 0.94652395629372 0.68192722876467 0.40955230701701 15.999 > 13 15 O 0.05347604370628 0.18192722876467 0.09044769298299 15.999 > 15 16 O 0.05347604370628 0.68192722876467 0.09044769298299 15.999 > 15 17 O 0.64992641042380 0.18313438953199 0.85545472918564 15.999 > 17 18 O 0.64992641042380 0.68313438953199 0.85545472918564 15.999 > 17 19 O 0.35007358957620 0.18313438953199 0.64454527081436 15.999 > 19 20 O 0.35007358957620 0.68313438953199 0.64454527081436 15.999 > 19 21 O 0.03958120722061 0.44954710433862 0.10455605654610 15.999 > 21 22 O 0.03958120722061 0.94954710433862 0.10455605654610 15.999 > 21 23 O 0.96041879277939 0.44954710433862 0.39544394345390 15.999 > 23 24 O 0.96041879277939 0.94954710433862 0.39544394345390 15.999 > 23 25 O 0.96041879277939 0.05045289566138 0.89544394345390 15.999 > 25 26 O 0.96041879277939 0.55045289566138 0.89544394345390 15.999 > 25 27 O 0.03958120722061 0.05045289566138 0.60455605654610 15.999 > 27 28 O 0.03958120722061 0.55045289566138 0.60455605654610 15.999 > 27 29 O 0.64992641042380 0.31686561046801 0.35545472918564 15.999 > 29 30 O 0.64992641042380 0.81686561046801 0.35545472918564 15.999 > 29 31 O 0.35007358957620 0.31686561046801 0.14454527081436 15.999 > 31 32 O 0.35007358957620 0.81686561046801 0.14454527081436 15.999 > 31 33 O 0.69679066889571 0.06187671869712 0.35456830928588 15.999 > 1 34 O 0.69679066889571 0.56187671869712 0.35456830928588 15.999 > 1 35 O 0.30320933110429 0.06187671869712 0.14543169071412 15.999 > 3 36 O 0.30320933110429 0.56187671869712 0.14543169071412 15.999 > 3 37 O 0.30320933110429 0.43812328130288 0.64543169071412 15.999 > 5 38 O 0.30320933110429 0.93812328130288 0.64543169071412 15.999 > 5 39 O 0.69679066889571 0.43812328130288 0.85456830928588 15.999 > 7 40 O 0.69679066889571 0.93812328130288 0.85456830928588 15.999 > 7 41 O 0.55347604370628 0.06807277123532 0.59044769298299 15.999 > 9 42 O 0.55347604370628 0.56807277123532 0.59044769298299 15.999 > 9 43 O 0.44652395629372 0.06807277123532 0.90955230701701 15.999 > 11 44 O 0.44652395629372 0.56807277123532 0.90955230701701 15.999 > 11 45 O 0.44652395629372 0.43192722876467 0.40955230701701 15.999 > 13 46 O 0.44652395629372 0.93192722876467 0.40955230701701 15.999 > 13 47 O 0.55347604370628 0.43192722876467 0.09044769298299 15.999 > 15 48 O 0.55347604370628 0.93192722876467 0.09044769298299 15.999 > 15 49 O 0.14992641042380 0.43313438953199 0.85545472918564 15.999 > 17 50 O 0.14992641042380 0.93313438953199 0.85545472918564 15.999 > 17 51 O 0.85007358957620 0.43313438953199 0.64454527081436 15.999 > 19 52 O 0.85007358957620 0.93313438953199 0.64454527081436 15.999 > 19 53 O 0.53958120722061 0.19954710433862 0.10455605654610 15.999 > 21 54 O 0.53958120722061 0.69954710433862 0.10455605654610 15.999 > 21 55 O 0.46041879277939 0.19954710433862 0.39544394345390 15.999 > 23 56 O 0.46041879277939 0.69954710433862 0.39544394345390 15.999 > 23 57 O 0.46041879277939 0.30045289566138 0.89544394345390 15.999 > 25 58 O 0.46041879277939 0.80045289566138 0.89544394345390 15.999 > 25 59 O 0.53958120722061 0.30045289566138 0.60455605654610 15.999 > 27 60 O 0.53958120722061 0.80045289566138 0.60455605654610 15.999 > 27 61 O 0.14992641042380 0.06686561046801 0.35545472918564 15.999 > 29 62 O 0.14992641042380 0.56686561046801 0.35545472918564 15.999 > 29 63 O 0.85007358957620 0.06686561046801 0.14454527081436 15.999 > 31 64 O 0.85007358957620 0.56686561046801 0.14454527081436 15.999 > 31 65 Zn 0.00000000000000 0.11899766947020 0.75000000000000 65.380 > 65 66 Zn 0.00000000000000 0.61899766947020 0.75000000000000 65.380 > 65 67 Zn 0.00000000000000 0.38100233052980 0.25000000000000 65.380 > 67 68 Zn 0.00000000000000 0.88100233052980 0.25000000000000 65.380 > 67 69 Zn 0.84174946916471 0.23979748091712 0.00372651484853 65.380 > 69 70 Zn 0.84174946916471 0.73979748091712 0.00372651484853 65.380 > 69 71 Zn 0.15825053083529 0.23979748091712 0.49627348515147 65.380 > 71 72 Zn 0.15825053083529 0.73979748091712 0.49627348515147 65.380 > 71 73 Zn 0.15825053083529 0.26020251908288 0.99627348515147 65.380 > 73 74 Zn 0.15825053083529 0.76020251908288 0.99627348515147 65.380 > 73 75 Zn 0.84174946916471 0.26020251908288 0.50372651484853 65.380 > 75 76 Zn 0.84174946916471 0.76020251908288 0.50372651484853 65.380 > 75 77 Zn 0.50000000000000 0.36899766947020 0.75000000000000 65.380 > 65 78 Zn 0.50000000000000 0.86899766947020 0.75000000000000 65.380 > 65 79 Zn 0.50000000000000 0.13100233052980 0.25000000000000 65.380 > 67 80 Zn 0.50000000000000 0.63100233052980 0.25000000000000 65.380 > 67 81 Zn 0.34174946916471 0.48979748091712 0.00372651484853 65.380 > 69 82 Zn 0.34174946916471 0.98979748091712 0.00372651484853 65.380 > 69 83 Zn 0.65825053083529 0.48979748091712 0.49627348515147 65.380 > 71 84 Zn 0.65825053083529 0.98979748091712 0.49627348515147 65.380 > 71 85 Zn 0.65825053083529 0.01020251908288 0.99627348515147 65.380 > 73 86 Zn 0.65825053083529 0.51020251908288 0.99627348515147 65.380 > 73 87 Zn 0.34174946916471 0.01020251908288 0.50372651484853 65.380 > 75 88 Zn 0.34174946916471 0.51020251908288 0.50372651484853 65.380 > 75 89 Ta 0.08027775153615 0.42906192894161 0.62696005731677 180.948 > 89 90 Ta 0.08027775153615 0.92906192894161 0.62696005731677 180.948 > 89 91 Ta 0.91972224846385 0.42906192894161 0.87303994268323 180.948 > 91 92 Ta 0.91972224846385 0.92906192894161 0.87303994268323 180.948 > 91 93 Ta 0.91972224846385 0.07093807105839 0.37303994268323 180.948 > 93 94 Ta 0.91972224846385 0.57093807105839 0.37303994268323 180.948 > 93 95 Ta 0.08027775153615 0.07093807105839 0.12696005731677 180.948 > 95 96 Ta 0.08027775153615 0.57093807105839 0.12696005731677 180.948 > 95 97 Ta 0.58027775153615 0.17906192894161 0.62696005731677 180.948 > 89 98 Ta 0.58027775153615 0.67906192894161 0.62696005731677 180.948 > 89 99 Ta 0.41972224846385 0.17906192894161 0.87303994268323 180.948 > 91 100 Ta 0.41972224846385 0.67906192894161 0.87303994268323 180.948 > 91 101 Ta 0.41972224846385 0.32093807105839 0.37303994268323 180.948 > 93 102 Ta 0.41972224846385 0.82093807105839 0.37303994268323 180.948 > 93 103 Ta 0.58027775153615 0.32093807105839 0.12696005731677 180.948 > 95 104 Ta 0.58027775153615 0.82093807105839 0.12696005731677 180.948 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5711234 0.0000000 -0.1659001 0.0000000 4.5635391 0.0000000 -0.1659052 0.0000000 4.4545437 -------------------------- Born effective charges -------------------------- 1 O -3.8508099 -0.1055983 -0.2050675 0.1903450 -1.5078309 0.3220049 -0.1091855 0.4738604 -1.4644029 2 O -3.8508099 0.1055983 -0.2050675 -0.1903450 -1.5078309 -0.3220049 -0.1091855 -0.4738604 -1.4644029 3 O -3.8508099 -0.1055983 -0.2050675 0.1903450 -1.5078309 0.3220049 -0.1091855 0.4738604 -1.4644029 4 O -3.8508099 0.1055983 -0.2050675 -0.1903450 -1.5078309 -0.3220049 -0.1091855 -0.4738604 -1.4644029 5 O -1.6800116 0.0383057 0.0564857 -0.1460666 -3.9600837 -0.8854350 -0.0710085 -0.6777851 -1.3093819 6 O -1.6800116 -0.0383057 0.0564857 0.1460666 -3.9600837 0.8854350 -0.0710085 0.6777851 -1.3093819 7 O -1.6800116 0.0383057 0.0564857 -0.1460666 -3.9600837 -0.8854350 -0.0710085 -0.6777851 -1.3093819 8 O -1.6800116 -0.0383057 0.0564857 0.1460666 -3.9600837 0.8854350 -0.0710085 0.6777851 -1.3093819 9 O -2.7661290 -0.1491624 0.5088553 -0.0861452 -1.1753061 -0.2773183 0.6185698 -0.3551723 -3.3207667 10 O -2.7661290 0.1491624 0.5088553 0.0861452 -1.1753061 0.2773183 0.6185698 0.3551723 -3.3207667 11 O -1.2552071 -0.2953187 0.2605095 -0.4005286 -2.8119423 -0.4691098 0.2158079 -0.3415191 -3.0887587 12 O -1.2552071 0.2953187 0.2605095 0.4005286 -2.8119423 0.4691098 0.2158079 0.3415191 -3.0887587 13 O -1.2552071 -0.2953187 0.2605095 -0.4005286 -2.8119423 -0.4691098 0.2158079 -0.3415191 -3.0887587 14 O -1.2552071 0.2953187 0.2605095 0.4005286 -2.8119423 0.4691098 0.2158079 0.3415191 -3.0887587 15 O -2.7661290 0.1491624 0.5088553 0.0861452 -1.1753061 0.2773183 0.6185698 0.3551723 -3.3207667 16 O -2.7661290 -0.1491624 0.5088553 -0.0861452 -1.1753061 -0.2773183 0.6185698 -0.3551723 -3.3207667 17 Zn 2.4889116 0.0000000 0.2762806 0.0000000 2.3010786 0.0000000 -0.0839809 0.0000000 2.4740202 18 Zn 2.4889116 0.0000000 0.2762806 0.0000000 2.3010786 0.0000000 -0.0839809 0.0000000 2.4740202 19 Zn 2.4609785 -0.1296845 0.0017552 -0.0951874 2.5069130 -0.1775061 0.2629897 0.1807929 2.0901030 20 Zn 2.4609785 0.1296845 0.0017552 0.0951874 2.5069130 0.1775061 0.2629897 -0.1807929 2.0901030 21 Zn 2.4609785 -0.1296845 0.0017552 -0.0951874 2.5069130 -0.1775061 0.2629897 0.1807929 2.0901030 22 Zn 2.4609785 0.1296845 0.0017552 0.0951874 2.5069130 0.1775061 0.2629897 -0.1807929 2.0901030 23 Ta 5.8467233 -0.1175951 -0.7606784 -0.2606027 5.7977108 -0.2550273 -0.8751828 -0.2121308 5.8561970 24 Ta 5.8467233 0.1175951 -0.7606784 0.2606027 5.7977108 0.2550273 -0.8751828 0.2121308 5.8561970 25 Ta 5.8467233 -0.1175951 -0.7606784 -0.2606027 5.7977108 -0.2550273 -0.8751828 -0.2121308 5.8561970 26 Ta 5.8467233 0.1175951 -0.7606784 0.2606027 5.7977108 0.2550273 -0.8751828 0.2121308 5.8561970 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.674 ( 0.000 0.000 0.000) 0.000 13.700 ( 0.000 0.000 0.000) 0.000 13.952 ( 0.000 0.000 0.000) 0.000 14.112 ( 0.000 0.000 0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 14.647 ( 0.000 0.000 0.000) 0.000 14.882 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.346 ( 0.000 0.000 0.000) 0.000 17.744 ( 0.000 0.000 0.000) 0.000 17.747 ( 0.000 0.000 0.000) 0.000 18.531 ( 0.000 0.000 0.000) 0.000 19.124 ( 0.000 0.000 0.000) 0.000 19.147 ( 0.000 0.000 0.000) 0.000 19.515 ( 0.000 0.000 0.000) 0.000 19.677 ( 0.000 0.000 0.000) 0.000 20.170 ( 0.000 0.000 0.000) 0.000 20.806 ( 0.000 0.000 0.000) 0.000 20.973 ( 0.000 0.000 0.000) 0.000 21.268 ( 0.000 0.000 0.000) 0.000 22.916 ( 0.000 0.000 0.000) 0.000 23.494 ( 0.000 0.000 0.000) 0.000 24.041 ( 0.000 0.000 0.000) 0.000 24.276 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 5.422 -26.556 -7.177) 28.038 0.436 ( 12.446 -16.575 7.555) 22.061 0.994 ( 37.273 -29.390 13.349) 49.308 1.944 ( -7.880 0.245 -5.207) 9.448 2.014 ( -0.520 -2.372 -3.219) 4.032 2.184 ( 1.154 -5.266 -0.252) 5.397 2.356 ( -0.007 -3.293 0.397) 3.317 2.681 ( -1.227 1.109 -0.437) 1.711 2.790 ( -5.811 -0.361 1.257) 5.957 3.014 ( 1.410 9.219 -1.073) 9.388 3.136 ( 1.900 -0.217 -2.798) 3.389 3.322 ( 8.339 3.893 1.744) 9.366 3.471 ( 1.285 -0.607 -1.334) 1.949 3.558 ( 2.896 -4.223 2.079) 5.526 3.712 ( -5.011 -2.121 2.938) 6.183 3.783 ( -3.202 -8.489 2.314) 9.363 4.168 ( 2.929 7.526 -0.689) 8.105 4.288 ( -3.597 -7.439 -4.570) 9.442 4.410 ( 2.334 -6.017 -4.624) 7.940 4.638 ( 5.455 2.751 2.218) 6.500 4.897 ( 8.150 -0.788 4.554) 9.369 5.009 ( 1.779 -3.756 0.654) 4.207 5.746 ( -11.171 -9.618 -1.325) 14.801 6.018 ( -6.668 1.608 -3.339) 7.629 6.243 ( -3.027 3.609 -0.247) 4.716 6.305 ( 7.738 3.973 -5.040) 10.053 6.349 ( -3.260 4.219 4.358) 6.886 6.771 ( -1.064 2.541 -3.578) 4.515 6.874 ( -1.897 -3.903 -0.832) 4.419 6.957 ( 9.766 5.108 -1.589) 11.135 7.153 ( -3.139 4.800 0.860) 5.800 7.210 ( -0.947 0.136 -4.357) 4.460 7.271 ( 1.090 -0.390 4.112) 4.272 7.603 ( -2.980 3.673 -0.363) 4.744 8.056 ( -3.775 -3.062 -11.322) 12.321 8.206 ( 2.801 -0.534 3.571) 4.570 8.293 ( -0.046 -2.983 2.354) 3.800 8.543 ( -7.141 -10.425 -7.219) 14.553 8.677 ( 2.315 3.446 -4.777) 6.329 8.814 ( -2.106 -6.178 -1.316) 6.659 8.914 ( 1.561 -3.841 -5.061) 6.542 9.056 ( -2.297 -1.202 17.130) 17.325 9.724 ( 21.714 15.366 -16.109) 31.098 9.921 ( -1.496 0.083 0.297) 1.527 10.308 ( 0.470 -1.974 2.712) 3.387 10.931 ( -9.690 -4.226 -2.619) 10.891 11.714 ( 38.071 14.221 -42.841) 59.051 12.195 ( -1.398 6.138 1.589) 6.492 12.381 ( -1.898 -6.797 2.337) 7.434 12.531 ( 1.370 -0.884 -2.967) 3.385 13.247 ( 2.414 17.000 17.540) 24.546 13.725 ( 2.026 -0.477 1.163) 2.384 13.981 ( 2.704 -0.044 1.493) 3.089 14.089 ( -1.070 0.951 1.308) 1.939 14.275 ( -11.588 -16.534 -3.938) 20.571 14.625 ( 0.257 1.119 -4.990) 5.120 14.785 ( 2.714 7.544 8.793) 11.900 15.001 ( -7.264 -7.382 19.147) 21.768 15.090 ( 14.464 9.290 -12.581) 21.302 15.364 ( 1.877 -0.603 0.818) 2.134 15.966 ( -9.402 -7.713 -12.942) 17.759 16.137 ( -9.308 -14.094 -3.069) 17.167 16.935 ( 3.312 -2.417 14.689) 15.250 17.748 ( 1.808 0.471 -1.691) 2.520 18.015 ( -28.170 -22.336 -8.286) 36.893 18.555 ( 2.001 -0.702 0.779) 2.259 19.090 ( -7.589 -1.526 0.889) 7.792 19.462 ( 15.912 22.264 6.842) 28.208 19.555 ( 3.390 -2.720 -1.028) 4.466 20.170 ( -0.261 -0.614 -1.298) 1.460 20.555 ( -9.061 15.298 -1.972) 17.889 21.072 ( -4.628 -10.956 2.016) 12.063 21.241 ( 4.433 6.191 -2.255) 7.941 22.218 ( -9.381 -22.150 8.527) 25.522 23.137 ( 18.882 13.936 -5.535) 24.112 23.848 ( -7.978 -12.553 -19.034) 24.156 24.039 ( -1.394 0.975 3.498) 3.890 24.292 ( -1.119 -3.416 -0.136) 3.597 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 6.010 -23.505 -4.377) 24.653 0.827 ( 9.430 -15.682 4.612) 18.871 1.701 ( 4.615 -7.831 -2.561) 9.443 1.835 ( 9.245 -0.454 -0.077) 9.257 2.074 ( 4.481 -11.762 -4.249) 13.285 2.263 ( -1.487 -7.183 1.012) 7.405 2.392 ( -1.225 -2.542 3.511) 4.505 2.619 ( 0.998 6.136 0.718) 6.258 2.793 ( -3.326 -4.716 0.866) 5.836 2.963 ( 3.769 2.104 0.009) 4.317 3.134 ( 2.631 0.093 -4.057) 4.836 3.370 ( 4.547 3.328 0.921) 5.710 3.494 ( 2.523 -1.304 -1.895) 3.414 3.615 ( 0.679 -0.097 5.054) 5.101 3.711 ( -5.413 -4.236 5.597) 8.864 3.820 ( -5.553 0.385 0.626) 5.601 4.134 ( 2.919 2.815 0.374) 4.073 4.388 ( 6.347 -11.748 -6.484) 14.844 4.518 ( 4.575 -7.844 -2.732) 9.483 4.711 ( 5.745 -1.213 0.251) 5.877 5.005 ( 7.002 1.699 1.313) 7.324 5.157 ( 7.603 -7.152 1.766) 10.586 5.699 ( -2.833 0.214 -6.542) 7.133 5.909 ( -8.157 -0.222 2.574) 8.556 6.127 ( -4.772 3.119 -5.450) 7.887 6.255 ( -0.666 1.906 -5.575) 5.930 6.303 ( -1.418 4.941 4.481) 6.819 6.696 ( -5.035 3.009 4.479) 7.380 6.864 ( -6.610 -0.555 1.041) 6.715 6.949 ( -0.936 7.542 6.087) 9.737 7.049 ( -0.293 5.089 -2.065) 5.500 7.166 ( 0.134 1.131 -5.580) 5.696 7.327 ( 2.688 0.120 3.328) 4.280 7.525 ( 2.862 4.507 -1.672) 5.595 7.960 ( -8.006 -1.963 -5.666) 10.003 8.256 ( -0.662 -2.893 0.475) 3.006 8.382 ( 0.218 -4.493 5.110) 6.807 8.537 ( -2.063 -3.325 -2.088) 4.435 8.592 ( 5.074 8.402 -8.157) 12.762 8.901 ( 0.725 -8.906 -1.222) 9.019 8.983 ( 3.243 -1.429 -0.300) 3.556 9.159 ( 1.784 -3.329 8.235) 9.060 9.690 ( 10.317 8.115 -8.948) 15.886 9.900 ( -2.469 -0.567 0.722) 2.635 10.367 ( 0.328 -2.605 3.863) 4.671 10.824 ( -6.245 1.170 -4.673) 7.886 11.742 ( 19.029 7.708 -19.515) 28.326 12.128 ( 0.207 4.549 3.212) 5.573 12.454 ( -3.267 -7.594 1.940) 8.491 12.548 ( 2.664 -0.616 -2.974) 4.040 13.143 ( -2.065 10.123 6.782) 12.358 13.759 ( 1.420 -0.296 0.652) 1.591 13.997 ( 0.057 1.551 1.766) 2.351 14.122 ( 6.546 0.984 0.667) 6.653 14.320 ( -2.924 -7.520 -3.503) 8.797 14.573 ( -0.209 1.252 -5.804) 5.941 14.761 ( 1.743 4.708 0.879) 5.096 15.060 ( 3.727 3.459 -3.148) 5.981 15.170 ( -2.890 -7.753 18.083) 19.886 15.411 ( 3.323 -1.298 -1.126) 3.741 15.882 ( -4.823 -1.940 -5.687) 7.705 16.158 ( -7.113 -6.603 -1.001) 9.757 17.155 ( 3.608 -11.399 9.897) 15.521 17.727 ( -0.747 -0.131 -11.641) 11.665 17.931 ( -9.874 -5.550 8.085) 13.916 18.588 ( 1.219 0.450 1.481) 1.971 18.990 ( -10.633 -0.296 1.759) 10.782 19.404 ( 7.607 14.114 3.761) 16.469 19.647 ( 2.771 -5.685 -1.684) 6.545 20.143 ( -1.011 4.283 -5.469) 7.019 20.224 ( -7.111 11.332 -2.361) 13.585 21.126 ( -9.629 -8.624 3.365) 13.357 21.212 ( 6.372 5.460 -3.922) 9.263 22.480 ( 3.506 -16.360 2.412) 16.905 23.161 ( 7.582 4.572 -1.370) 8.960 23.792 ( -1.200 -2.143 -10.634) 10.914 24.015 ( -2.264 3.187 4.816) 6.203 24.330 ( -1.497 -4.626 0.037) 4.862 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 4.166 -15.744 1.453) 16.351 1.130 ( 7.468 -13.242 -2.736) 15.447 1.607 ( -4.058 0.630 -6.858) 7.993 1.905 ( 5.103 3.805 -0.333) 6.375 2.229 ( 2.993 1.290 -1.426) 3.557 2.339 ( -3.156 -6.040 0.081) 6.815 2.459 ( -5.153 -3.647 3.438) 7.189 2.674 ( 9.641 -4.292 1.594) 10.673 2.746 ( -6.189 1.101 -2.070) 6.618 3.040 ( 3.918 -3.631 2.574) 5.929 3.203 ( 6.351 -4.443 -2.148) 8.043 3.351 ( -1.217 2.424 0.463) 2.752 3.551 ( 4.746 -1.874 -3.251) 6.050 3.631 ( -1.494 5.930 0.861) 6.176 3.735 ( 0.429 0.410 4.252) 4.293 3.760 ( -3.230 -4.586 7.760) 9.575 4.141 ( 0.802 0.150 0.888) 1.206 4.567 ( 5.838 -7.951 -8.116) 12.774 4.728 ( 4.138 -10.143 3.996) 11.660 4.828 ( 8.987 -6.551 -1.769) 11.261 5.071 ( 8.844 3.191 -0.129) 9.403 5.346 ( 5.292 -7.490 -1.690) 9.325 5.603 ( 1.218 3.832 -10.093) 10.864 5.837 ( -6.721 2.286 6.836) 9.855 5.997 ( -6.490 0.735 -4.646) 8.015 6.198 ( -4.624 4.954 2.235) 7.135 6.225 ( -2.263 -0.602 -2.719) 3.588 6.637 ( -2.430 2.064 2.955) 4.347 6.728 ( -10.008 4.503 7.103) 13.073 6.875 ( -0.022 8.870 5.469) 10.421 6.941 ( -3.492 4.892 -5.280) 8.000 7.129 ( 2.497 0.813 -6.516) 7.026 7.378 ( 1.904 -1.472 3.255) 4.048 7.543 ( 6.181 2.537 -0.680) 6.716 7.847 ( -8.474 -0.377 -2.493) 8.842 8.259 ( -3.146 -2.807 -1.128) 4.365 8.436 ( -3.064 1.624 6.056) 6.979 8.528 ( 2.892 -0.739 -3.221) 4.391 8.586 ( 6.131 -0.869 -5.260) 8.125 8.994 ( -1.160 -2.482 -0.046) 2.740 9.032 ( 4.189 -1.643 1.479) 4.736 9.267 ( 1.548 -3.618 2.441) 4.630 9.679 ( 7.767 3.644 -4.554) 9.713 9.883 ( -3.220 -1.172 0.638) 3.485 10.420 ( -0.584 -1.905 3.328) 3.879 10.709 ( -3.204 2.185 -4.508) 5.946 11.737 ( 7.984 5.207 -8.917) 13.052 12.121 ( 2.833 2.275 1.827) 4.067 12.536 ( -1.141 -8.494 -0.455) 8.583 12.575 ( 2.217 -0.859 -1.381) 2.750 13.017 ( -3.253 8.915 4.553) 10.526 13.775 ( -0.134 -0.565 0.309) 0.658 13.977 ( 0.846 3.659 0.745) 3.829 14.199 ( 6.587 0.138 -0.905) 6.650 14.357 ( -1.070 -4.863 -3.784) 6.254 14.532 ( -0.619 0.349 -1.322) 1.501 14.720 ( 1.493 3.937 -1.729) 4.552 15.047 ( 1.648 2.061 0.104) 2.641 15.332 ( -4.054 -6.452 16.071) 17.786 15.460 ( 4.526 -0.877 -3.964) 6.080 15.830 ( -2.999 -1.002 -1.731) 3.605 16.129 ( -5.361 -2.629 -1.580) 6.177 17.385 ( 1.355 -7.266 8.137) 10.993 17.615 ( -6.093 -4.219 -11.910) 14.027 18.045 ( 8.881 -2.930 9.004) 12.982 18.585 ( -0.338 3.102 4.846) 5.764 18.881 ( -12.347 -3.808 2.245) 13.114 19.286 ( -2.526 11.560 -1.741) 11.961 19.706 ( -3.316 -3.022 -1.345) 4.683 19.968 ( 12.899 13.384 -7.807) 20.161 20.140 ( -6.854 -2.889 0.417) 7.450 21.124 ( -6.339 -4.078 2.824) 8.049 21.195 ( 2.361 2.303 -3.583) 4.870 22.732 ( 5.189 -11.009 0.994) 12.211 23.183 ( 2.705 1.010 -1.080) 3.082 23.759 ( 2.196 -0.471 -6.686) 7.053 23.955 ( -3.475 4.870 4.911) 7.740 24.370 ( -1.112 -3.671 0.180) 3.840 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 1.639 -4.049 1.438) 4.599 1.330 ( 4.272 -6.610 -2.230) 8.180 1.534 ( -1.043 1.373 -3.259) 3.687 1.971 ( 3.675 -3.707 3.607) 6.345 2.157 ( -1.313 6.338 -3.441) 7.330 2.348 ( -3.129 -1.609 0.885) 3.628 2.483 ( -0.851 -3.967 4.457) 6.028 2.587 ( -4.387 3.534 -6.375) 8.507 2.839 ( 3.656 -1.767 1.276) 4.256 3.138 ( 1.456 -2.610 2.277) 3.757 3.298 ( -0.222 0.913 -1.474) 1.748 3.324 ( 1.746 -3.278 -0.498) 3.747 3.502 ( -2.601 5.212 0.100) 5.825 3.598 ( 2.075 -0.663 -1.738) 2.787 3.804 ( 1.270 -1.489 2.354) 3.061 3.831 ( 0.972 -1.019 3.870) 4.118 4.165 ( 0.662 -0.797 0.913) 1.381 4.653 ( 2.604 -2.798 -4.555) 5.946 4.846 ( -0.739 -3.469 4.237) 5.525 5.051 ( 5.362 -6.360 0.601) 8.340 5.155 ( 9.071 1.158 -1.975) 9.355 5.422 ( -1.874 -2.838 -3.125) 4.619 5.548 ( 2.687 0.615 -4.870) 5.596 5.783 ( 0.536 3.418 4.428) 5.619 5.891 ( -6.225 -0.441 -2.015) 6.557 6.041 ( -6.889 4.727 1.238) 8.446 6.234 ( 0.201 -1.686 -0.822) 1.887 6.594 ( -2.895 -0.680 0.660) 3.046 6.686 ( -0.138 -0.104 3.624) 3.628 6.759 ( 0.804 11.229 5.568) 12.559 6.834 ( -3.412 -1.318 -6.354) 7.331 7.121 ( 1.398 0.379 -2.352) 2.762 7.445 ( 0.246 -2.612 2.136) 3.383 7.576 ( 5.204 2.552 -0.190) 5.799 7.734 ( -6.133 0.590 -1.418) 6.322 8.276 ( -1.193 -4.552 -0.885) 4.789 8.376 ( -0.443 5.322 1.892) 5.666 8.572 ( 0.759 -1.673 -0.393) 1.878 8.638 ( 2.481 -1.193 -1.795) 3.286 8.985 ( -0.516 0.879 0.792) 1.291 9.103 ( 1.622 -1.477 0.023) 2.194 9.310 ( -0.017 -0.884 0.200) 0.906 9.731 ( 5.535 0.206 -0.941) 5.618 9.850 ( -3.604 -0.421 0.114) 3.631 10.440 ( -0.748 -0.607 1.245) 1.574 10.646 ( -0.503 0.896 -1.761) 2.039 11.713 ( 1.899 1.941 -2.459) 3.663 12.139 ( 1.459 0.688 0.422) 1.667 12.591 ( 1.220 -0.071 -0.305) 1.260 12.646 ( 0.611 -7.012 -1.524) 7.201 12.894 ( -2.317 6.564 2.764) 7.490 13.781 ( -0.524 -0.802 0.244) 0.989 13.939 ( 0.558 2.674 -0.307) 2.749 14.264 ( 3.539 -0.244 -0.222) 3.554 14.367 ( -1.209 -1.993 -2.561) 3.464 14.532 ( -0.178 -0.342 1.419) 1.471 14.681 ( 0.694 1.970 -1.470) 2.554 15.046 ( 0.573 0.707 0.443) 1.012 15.417 ( -2.836 -2.442 6.569) 7.561 15.496 ( 2.739 -0.208 -2.268) 3.562 15.809 ( -1.069 -0.414 0.001) 1.146 16.093 ( -1.963 -0.638 -0.958) 2.276 17.430 ( -0.683 1.517 0.948) 1.915 17.604 ( -2.268 -5.667 -2.285) 6.517 18.258 ( 9.562 -2.003 0.640) 9.790 18.614 ( 8.317 4.648 11.059) 14.597 18.797 ( -21.152 -12.068 0.139) 24.352 19.045 ( 0.034 12.500 -7.392) 14.522 19.676 ( -0.481 0.713 -0.507) 0.998 20.008 ( 14.630 5.936 -3.953) 16.275 20.087 ( -10.574 -4.435 1.922) 11.627 21.118 ( -2.403 -1.513 1.273) 3.112 21.173 ( 0.574 1.002 -1.699) 2.054 22.890 ( 2.464 -4.040 0.665) 4.779 23.186 ( 0.257 0.035 -0.992) 1.025 23.785 ( 4.213 -2.415 -4.539) 6.647 23.867 ( -4.445 4.690 4.411) 7.824 24.396 ( -0.392 -1.373 0.099) 1.431 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( 24.594 -0.000 -17.238) 30.034 0.652 ( 18.251 -0.000 12.754) 22.266 1.453 ( 43.087 -0.000 14.851) 45.575 1.739 ( -11.585 0.000 -10.564) 15.678 2.043 ( 6.694 -0.000 -1.036) 6.774 2.164 ( 1.079 -0.000 -1.794) 2.094 2.357 ( 1.367 -0.000 0.260) 1.391 2.685 ( -1.411 0.000 3.480) 3.756 2.745 ( -1.290 0.000 2.648) 2.945 3.047 ( -2.203 0.000 -2.316) 3.196 3.140 ( 3.298 -0.000 -4.993) 5.984 3.484 ( 4.394 -0.000 -3.549) 5.648 3.561 ( 8.369 -0.000 3.142) 8.940 3.569 ( 6.299 -0.000 2.246) 6.688 3.660 ( -7.973 0.000 7.011) 10.617 3.673 ( -1.640 0.000 4.532) 4.820 4.189 ( 2.204 -0.000 -5.605) 6.022 4.272 ( 3.590 -0.000 -0.698) 3.658 4.359 ( 1.751 -0.000 -2.923) 3.407 4.665 ( -2.346 0.000 2.216) 3.227 5.038 ( 5.371 -0.000 -0.509) 5.395 5.046 ( 14.087 -0.000 0.565) 14.099 5.669 ( 2.469 -0.000 5.498) 6.027 5.888 ( -8.176 0.000 -7.944) 11.400 6.177 ( -6.279 0.000 -6.006) 8.690 6.283 ( -0.607 0.000 -12.486) 12.501 6.397 ( -4.969 0.000 9.151) 10.413 6.748 ( -3.362 0.000 2.468) 4.170 6.805 ( -3.192 0.000 -1.705) 3.619 7.122 ( -4.719 0.000 -3.299) 5.758 7.151 ( 11.397 -0.000 -3.685) 11.978 7.222 ( -0.190 0.000 3.081) 3.087 7.243 ( -4.494 0.000 6.005) 7.501 7.608 ( -0.678 0.000 1.627) 1.763 7.953 ( 0.248 -0.000 -11.679) 11.681 8.172 ( -4.759 0.000 1.168) 4.900 8.338 ( 4.874 -0.000 -2.863) 5.653 8.450 ( 5.908 -0.000 -3.525) 6.879 8.671 ( -0.329 0.000 4.132) 4.145 8.817 ( 1.241 -0.000 -7.567) 7.668 8.883 ( 8.016 -0.000 -3.368) 8.694 9.142 ( 0.257 -0.000 14.185) 14.188 9.898 ( -2.524 0.000 0.067) 2.525 9.901 ( 8.195 -0.000 -15.475) 17.511 10.341 ( 2.406 -0.000 3.728) 4.437 10.789 ( -4.902 0.000 -4.755) 6.829 11.907 ( 23.639 -0.000 -42.340) 48.492 12.247 ( -3.797 0.000 0.261) 3.806 12.310 ( -3.604 0.000 6.489) 7.423 12.511 ( 2.931 -0.000 -2.058) 3.581 13.490 ( -8.234 0.000 -4.281) 9.280 13.722 ( 2.887 -0.000 2.209) 3.635 13.985 ( -3.957 0.000 15.518) 16.014 14.076 ( 6.091 -0.000 3.955) 7.262 14.167 ( 5.444 -0.000 -3.054) 6.242 14.588 ( -0.017 0.000 -9.242) 9.242 14.893 ( 1.359 -0.000 -0.414) 1.421 14.963 ( -5.708 0.000 21.256) 22.009 15.306 ( -4.481 0.000 4.453) 6.317 15.334 ( 7.889 -0.000 -19.003) 20.575 15.706 ( 4.216 -0.000 2.798) 5.060 16.066 ( -0.365 0.000 0.407) 0.546 16.851 ( -10.944 0.000 9.284) 14.352 17.752 ( -1.241 0.000 2.897) 3.151 17.780 ( 0.817 -0.000 5.475) 5.536 18.595 ( 3.235 -0.000 1.171) 3.440 18.968 ( -10.468 0.000 1.306) 10.549 19.517 ( 1.683 -0.000 -5.011) 5.286 19.747 ( 0.690 -0.000 1.188) 1.374 20.145 ( -1.678 0.000 -1.533) 2.273 20.533 ( -10.325 0.000 -0.746) 10.351 20.915 ( -2.230 0.000 -2.644) 3.459 21.526 ( 14.855 -0.000 -3.506) 15.263 21.967 ( -2.225 0.000 12.618) 12.813 23.462 ( -1.802 0.000 -1.043) 2.082 23.497 ( 9.301 -0.000 -16.243) 18.717 24.053 ( -0.025 0.000 1.183) 1.183 24.282 ( 0.196 -0.000 0.924) 0.945 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 20.084 -14.953 -6.869) 25.964 0.955 ( 17.552 -0.766 10.303) 20.367 1.577 ( -3.019 -0.946 -9.003) 9.542 1.995 ( 10.843 -9.273 0.505) 14.276 2.109 ( 8.114 4.547 -1.539) 9.428 2.249 ( 15.808 -1.919 5.380) 16.808 2.377 ( 1.050 -0.317 -0.074) 1.100 2.691 ( -2.491 -0.706 4.997) 5.628 2.779 ( 4.930 1.947 3.402) 6.298 2.986 ( -1.786 -0.104 -3.201) 3.667 3.166 ( 6.173 1.082 -3.351) 7.106 3.472 ( 0.226 6.123 -1.152) 6.235 3.541 ( 2.866 1.881 0.097) 3.429 3.644 ( -1.718 -2.419 5.698) 6.424 3.709 ( 6.363 0.138 10.041) 11.888 3.776 ( 0.433 -1.897 1.413) 2.404 4.197 ( 0.492 1.905 -1.935) 2.759 4.326 ( 10.003 -6.178 -3.942) 12.400 4.439 ( 2.304 -8.345 -2.570) 9.031 4.686 ( -1.723 -4.516 2.052) 5.251 5.118 ( 8.658 0.459 -0.576) 8.690 5.222 ( 11.713 -1.573 -2.214) 12.024 5.689 ( -0.582 3.635 -6.644) 7.596 5.807 ( -2.455 -4.054 4.035) 6.224 6.036 ( -7.168 1.302 -7.700) 10.601 6.190 ( -3.426 -0.494 -8.431) 9.114 6.340 ( -6.084 3.514 3.992) 8.081 6.707 ( -3.249 2.610 2.062) 4.650 6.765 ( -5.237 -1.751 0.082) 5.523 7.029 ( -6.020 4.480 0.309) 7.510 7.104 ( -1.889 5.280 2.246) 6.041 7.203 ( 1.988 4.812 4.493) 6.877 7.362 ( 1.924 -5.162 3.853) 6.722 7.601 ( 2.226 2.609 1.008) 3.574 7.864 ( -0.475 3.071 -9.944) 10.418 8.171 ( -3.024 -5.174 -0.351) 6.003 8.344 ( -2.015 -1.646 -2.140) 3.369 8.487 ( 0.987 -1.690 -2.784) 3.403 8.719 ( 6.976 3.693 -2.959) 8.429 8.826 ( 4.212 -3.354 -0.910) 5.460 8.989 ( 5.923 -3.940 -3.998) 8.160 9.228 ( 1.524 0.235 10.968) 11.076 9.855 ( 1.425 3.323 -4.406) 5.700 9.872 ( 3.717 3.669 -5.628) 7.678 10.396 ( 2.067 0.292 5.130) 5.538 10.710 ( -4.892 -1.897 -5.789) 7.813 11.898 ( 11.213 5.678 -18.965) 22.752 12.180 ( -2.549 2.293 0.526) 3.468 12.312 ( -6.137 -6.735 2.016) 9.332 12.583 ( 6.835 -0.331 -0.121) 6.844 13.287 ( -3.802 10.239 -1.089) 10.977 13.776 ( 2.230 0.748 0.571) 2.420 14.026 ( -1.905 -1.801 6.111) 6.649 14.207 ( 3.423 -4.154 3.709) 6.537 14.214 ( 5.377 0.516 -5.040) 7.388 14.524 ( -0.754 -0.599 -9.261) 9.311 14.854 ( 1.014 5.863 1.494) 6.134 15.096 ( -3.227 -6.685 15.507) 17.192 15.189 ( 1.303 5.851 -1.037) 6.083 15.390 ( 1.153 -5.054 -5.448) 7.521 15.787 ( 1.184 -1.238 1.674) 2.396 16.076 ( -1.293 -1.464 0.687) 2.070 16.900 ( -9.478 -18.925 4.466) 21.632 17.685 ( -3.125 6.229 0.814) 7.016 17.906 ( 2.386 -6.693 10.078) 12.332 18.620 ( -1.936 0.225 2.576) 3.230 18.852 ( -7.933 0.491 0.258) 7.953 19.510 ( -0.065 -1.603 -6.813) 6.999 19.666 ( -5.203 6.283 2.103) 8.424 20.103 ( -3.395 -0.244 -2.505) 4.226 20.376 ( 3.878 12.763 -1.574) 13.431 20.936 ( -3.191 -7.436 -1.293) 8.194 21.487 ( 11.785 18.476 -2.035) 22.009 22.255 ( 2.618 -23.155 4.218) 23.681 23.320 ( 2.628 9.179 -2.156) 9.788 23.630 ( 0.068 -10.076 -7.459) 12.537 24.042 ( -1.408 1.915 1.915) 3.052 24.301 ( 0.580 -1.053 1.613) 2.011 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 17.272 -13.066 -3.046) 21.871 1.226 ( 16.773 0.966 6.599) 18.050 1.569 ( 4.721 -1.211 -5.169) 7.104 1.979 ( -0.768 3.708 -4.912) 6.203 2.228 ( 3.536 -5.501 -0.727) 6.579 2.364 ( 1.754 6.374 -2.543) 7.083 2.429 ( 3.594 1.309 6.820) 7.820 2.691 ( 2.549 3.252 -0.804) 4.210 2.870 ( 8.796 2.518 4.892) 10.375 3.030 ( 1.961 -6.394 1.919) 6.958 3.224 ( 6.381 -0.131 -2.497) 6.854 3.376 ( -1.701 4.903 -0.580) 5.222 3.577 ( 3.380 -0.707 -1.937) 3.959 3.699 ( -1.207 -0.555 4.959) 5.134 3.719 ( -0.557 5.702 3.014) 6.474 3.881 ( 9.674 1.516 9.063) 13.343 4.183 ( 1.494 1.411 3.179) 3.786 4.504 ( 7.479 -6.404 -7.969) 12.667 4.651 ( 5.546 -15.894 1.074) 16.868 4.746 ( -3.328 -6.883 3.241) 8.304 5.231 ( 11.871 1.696 -1.199) 12.051 5.341 ( 6.429 -1.713 -2.991) 7.295 5.573 ( -2.308 1.058 -9.761) 10.086 5.866 ( -0.524 1.931 2.372) 3.103 5.892 ( -3.340 0.633 -4.064) 5.298 6.134 ( -2.729 -3.788 -5.782) 7.432 6.214 ( -6.920 5.814 3.122) 9.562 6.620 ( -7.023 1.205 -1.905) 7.376 6.717 ( -0.975 2.037 1.173) 2.545 6.880 ( -5.803 6.239 2.343) 8.837 7.073 ( -2.530 -2.110 -1.299) 3.542 7.142 ( -0.532 11.668 9.608) 15.124 7.433 ( 2.603 1.025 2.576) 3.803 7.632 ( 4.437 0.211 -0.961) 4.544 7.762 ( -1.907 2.051 -5.383) 6.068 8.161 ( -5.106 -2.460 -1.331) 5.822 8.373 ( -1.277 -6.659 -0.319) 6.788 8.491 ( -0.657 -1.702 -2.661) 3.226 8.725 ( 9.420 6.531 -5.739) 12.818 8.924 ( 0.931 -4.395 0.451) 4.515 9.072 ( 4.227 -2.152 -2.393) 5.313 9.306 ( 2.459 0.341 6.851) 7.287 9.820 ( 3.592 2.436 -3.141) 5.358 9.834 ( 1.601 3.329 -3.016) 4.769 10.438 ( 0.765 0.723 4.693) 4.810 10.654 ( -1.843 -1.004 -4.324) 4.806 11.818 ( 0.884 5.641 -5.589) 7.990 12.125 ( -5.659 -0.538 1.630) 5.914 12.389 ( 0.980 -10.452 -4.467) 11.409 12.658 ( 7.405 3.335 1.317) 8.228 13.126 ( -2.107 8.786 0.582) 9.054 13.763 ( -1.125 1.424 -0.402) 1.858 14.063 ( 1.613 2.063 3.931) 4.723 14.211 ( 0.483 -1.168 -7.579) 7.684 14.302 ( 3.631 -2.204 0.591) 4.289 14.497 ( -0.692 -2.470 -2.926) 3.891 14.793 ( 0.761 5.745 -0.022) 5.795 15.107 ( 0.429 4.230 1.056) 4.381 15.266 ( -5.140 -8.469 12.969) 16.320 15.430 ( 1.925 -3.889 -7.173) 8.384 15.812 ( 1.064 1.051 3.633) 3.929 16.072 ( -1.430 -0.676 0.480) 1.653 17.110 ( -7.454 -25.074 -0.009) 26.159 17.557 ( -3.469 6.623 1.175) 7.568 18.123 ( 5.698 -8.594 8.882) 13.609 18.546 ( -16.602 -3.391 3.531) 17.309 18.784 ( 3.270 5.203 1.997) 6.462 19.410 ( -1.999 10.260 -3.091) 10.900 19.567 ( -5.983 -4.099 -4.266) 8.414 20.039 ( -5.374 -0.487 -1.680) 5.652 20.309 ( 14.011 13.700 -1.135) 19.629 20.987 ( -2.891 -6.003 0.898) 6.723 21.396 ( 10.967 14.115 -3.362) 18.188 22.585 ( 2.791 -18.223 1.495) 18.496 23.240 ( 0.579 4.877 -1.332) 5.088 23.693 ( -0.188 -6.076 -4.876) 7.793 23.987 ( -3.373 3.848 2.473) 5.683 24.343 ( 1.050 -1.858 2.090) 2.987 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 11.780 -3.162 -1.125) 12.249 1.394 ( 10.192 3.368 1.402) 10.825 1.616 ( 9.575 4.421 -1.866) 10.710 1.958 ( 0.506 -3.205 -0.110) 3.247 2.211 ( -2.582 9.066 -4.504) 10.447 2.306 ( 1.815 -3.073 -0.802) 3.658 2.531 ( 7.006 -0.396 8.244) 10.826 2.661 ( 6.412 7.882 -2.541) 10.474 2.944 ( 4.501 3.841 4.543) 7.460 3.143 ( 2.580 -2.924 1.589) 4.211 3.281 ( 2.676 -2.012 -3.413) 4.781 3.305 ( -0.283 2.600 -1.466) 2.998 3.567 ( 0.449 4.632 -0.860) 4.732 3.642 ( 1.392 4.427 2.215) 5.142 3.754 ( -2.519 -1.841 5.430) 6.262 3.962 ( 5.353 5.393 1.076) 7.674 4.226 ( 2.969 3.046 6.556) 7.815 4.614 ( 4.966 -5.050 -6.974) 9.940 4.806 ( -2.467 -4.276 7.340) 8.845 4.909 ( -2.521 -14.898 0.759) 15.129 5.271 ( 1.477 5.977 -3.470) 7.068 5.433 ( 6.087 -1.058 2.632) 6.716 5.530 ( 1.912 -1.869 -5.829) 6.413 5.743 ( -3.863 0.776 -7.543) 8.510 5.917 ( 4.994 2.606 0.006) 5.633 6.048 ( -3.239 3.875 1.009) 5.150 6.189 ( 0.288 -4.357 0.293) 4.377 6.511 ( -6.681 -2.271 -3.551) 7.900 6.711 ( 1.973 1.525 -3.213) 4.067 6.753 ( -3.138 4.672 0.517) 5.651 7.015 ( -0.373 8.627 5.605) 10.294 7.083 ( -2.465 1.199 5.899) 6.505 7.459 ( 1.676 0.281 0.638) 1.815 7.607 ( -4.787 2.028 -3.535) 6.287 7.750 ( 6.808 1.679 1.024) 7.086 8.152 ( -4.353 -6.751 -0.597) 8.055 8.403 ( -1.385 0.700 0.036) 1.552 8.521 ( 0.306 -5.762 -2.601) 6.329 8.707 ( 5.859 5.301 -5.881) 9.849 8.954 ( -1.880 -1.492 -0.401) 2.434 9.123 ( 2.876 -0.116 -0.992) 3.045 9.357 ( 2.889 1.942 3.965) 5.276 9.776 ( -3.056 1.876 -1.212) 3.785 9.851 ( 6.918 1.496 -1.834) 7.312 10.462 ( 1.555 1.075 2.893) 3.456 10.634 ( -0.326 -0.240 -1.389) 1.447 11.725 ( -3.823 2.791 0.340) 4.746 12.073 ( -8.197 -3.315 1.591) 8.984 12.527 ( 3.063 -10.110 -5.804) 12.053 12.697 ( 7.617 5.617 0.720) 9.491 12.995 ( -1.650 8.883 1.592) 9.174 13.737 ( -2.025 -1.627 -0.375) 2.624 14.024 ( 1.611 6.872 -1.360) 7.188 14.202 ( -3.512 -4.726 -3.348) 6.773 14.377 ( 4.312 -1.075 0.739) 4.505 14.514 ( -1.253 -1.851 1.065) 2.476 14.724 ( 0.062 4.798 -0.830) 4.870 15.065 ( -0.866 2.315 0.055) 2.472 15.370 ( -6.557 -7.403 10.461) 14.395 15.449 ( 3.502 -1.591 -9.814) 10.541 15.830 ( 0.805 1.433 2.890) 3.325 16.089 ( 1.753 -1.014 2.268) 3.040 17.340 ( -5.032 -22.247 -2.558) 22.952 17.461 ( -2.034 3.741 1.858) 4.646 18.288 ( -5.729 -0.230 0.469) 5.753 18.398 ( -13.322 -11.238 0.993) 17.457 18.856 ( 10.472 2.240 11.144) 15.456 19.229 ( 4.477 14.252 -3.725) 15.396 19.528 ( -7.753 -6.750 -4.807) 11.348 19.965 ( -6.585 -0.243 0.524) 6.610 20.317 ( 13.789 11.791 -1.168) 18.180 21.037 ( -1.273 -3.872 3.050) 5.091 21.350 ( 11.647 10.608 -4.646) 16.424 22.805 ( -0.334 -10.683 0.892) 10.725 23.188 ( -0.411 1.512 -1.179) 1.961 23.738 ( -0.478 -5.181 -3.200) 6.108 23.894 ( -3.962 4.855 2.133) 6.620 24.394 ( 1.502 -1.231 2.124) 2.878 ======================= Grid point 14 (10/140) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 7.105 6.883 -0.168) 9.894 1.442 ( 5.682 6.442 0.637) 8.614 1.657 ( 7.144 8.013 3.620) 11.329 1.952 ( -1.270 2.904 -4.629) 5.610 2.110 ( -1.612 -1.325 0.470) 2.139 2.393 ( 6.966 -2.796 -0.756) 7.544 2.606 ( 5.275 8.356 -0.591) 9.900 2.708 ( 10.350 0.016 6.094) 12.011 2.923 ( 1.912 9.342 4.276) 10.451 3.157 ( 0.450 3.721 -3.037) 4.824 3.270 ( -3.841 0.454 -1.409) 4.116 3.310 ( 1.836 -1.898 -2.132) 3.395 3.547 ( 4.148 2.519 3.665) 6.081 3.612 ( -1.351 2.134 3.415) 4.248 3.740 ( -2.961 1.251 -0.108) 3.217 3.920 ( 3.623 6.718 -4.153) 8.690 4.220 ( 1.016 5.866 3.618) 6.966 4.665 ( 0.089 -1.619 -1.165) 1.996 4.847 ( -3.563 0.666 4.731) 5.960 4.952 ( -8.080 -4.012 -0.335) 9.028 5.112 ( -7.757 9.278 -2.736) 12.399 5.469 ( -10.231 -1.574 2.634) 10.681 5.516 ( 0.610 0.684 5.660) 5.734 5.742 ( 8.201 -2.886 -6.493) 10.851 5.990 ( 9.268 -0.704 -1.653) 9.440 6.076 ( 6.123 -2.589 -0.934) 6.713 6.236 ( 0.073 -1.149 0.354) 1.204 6.495 ( -2.988 -9.455 -8.470) 13.041 6.644 ( -1.918 2.382 4.238) 5.226 6.737 ( 8.495 1.689 -9.638) 12.958 6.988 ( 0.557 2.994 9.619) 10.090 7.079 ( -2.995 0.163 7.290) 7.883 7.465 ( -5.880 -2.201 -1.817) 6.536 7.481 ( -1.238 3.967 -2.760) 4.989 7.859 ( 10.586 0.819 2.593) 10.930 8.210 ( -4.260 -9.493 0.933) 10.447 8.356 ( 0.326 3.187 -2.295) 3.941 8.574 ( -0.104 -2.842 -0.838) 2.965 8.657 ( 0.810 3.960 -4.879) 6.336 8.939 ( -1.545 -1.444 -1.789) 2.770 9.130 ( 0.921 2.604 0.624) 2.832 9.373 ( 2.132 3.795 2.214) 4.883 9.694 ( -3.577 3.238 0.203) 4.829 9.907 ( 4.747 0.698 -1.066) 4.915 10.481 ( 3.047 2.477 0.177) 3.931 10.642 ( 0.260 -1.908 1.803) 2.638 11.655 ( -7.600 -0.733 4.164) 8.697 12.028 ( -8.326 -4.623 0.680) 9.548 12.615 ( 1.333 -1.232 -2.144) 2.809 12.727 ( 7.349 3.405 -3.748) 8.925 12.887 ( -0.833 4.215 1.729) 4.631 13.752 ( -0.742 -2.825 -0.139) 2.924 13.956 ( 0.608 3.225 -1.375) 3.558 14.174 ( -6.034 -2.278 -2.032) 6.762 14.440 ( 2.611 0.852 4.096) 4.932 14.517 ( -0.953 -0.439 0.074) 1.052 14.674 ( -0.607 1.424 0.069) 1.550 15.030 ( -1.384 0.597 0.122) 1.512 15.397 ( -4.114 -3.823 -7.088) 9.043 15.458 ( 1.852 0.751 1.779) 2.675 15.833 ( 0.394 0.177 0.314) 0.533 16.175 ( 7.302 -0.105 4.131) 8.390 17.414 ( -4.143 -0.556 0.250) 4.187 17.542 ( -0.647 -14.532 0.380) 14.552 18.073 ( -17.803 -0.345 -3.414) 18.130 18.469 ( 1.919 -5.394 -2.991) 6.460 18.988 ( 0.063 1.731 0.181) 1.742 19.206 ( 16.987 7.119 4.607) 18.985 19.517 ( -5.740 -9.657 0.890) 11.270 19.887 ( -7.029 0.737 3.013) 7.683 20.312 ( 9.313 9.830 -1.247) 13.599 21.094 ( 0.461 -1.819 4.611) 4.978 21.346 ( 12.281 8.373 -5.817) 15.962 22.847 ( -5.621 -1.220 -0.086) 5.753 23.183 ( -0.346 -0.984 0.219) 1.066 23.758 ( -4.924 -1.898 2.213) 5.722 23.831 ( 1.136 -1.062 -2.964) 3.347 24.434 ( 2.054 0.626 1.798) 2.800 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 3.983 15.704 -4.142) 16.722 1.339 ( -1.163 18.295 5.682) 19.192 1.705 ( 7.407 -1.737 5.970) 9.671 1.891 ( 2.055 5.877 1.374) 6.376 2.137 ( -1.562 -7.061 -3.956) 8.243 2.487 ( 5.571 4.147 -0.217) 6.949 2.577 ( 7.383 5.049 0.216) 8.947 2.676 ( -7.351 14.702 0.197) 16.438 2.936 ( 10.500 5.564 5.933) 13.282 3.036 ( -3.924 6.976 -3.078) 8.576 3.157 ( -7.041 2.311 -1.202) 7.507 3.330 ( -0.724 -0.755 -1.299) 1.667 3.568 ( -1.001 2.462 4.906) 5.580 3.632 ( 1.630 3.018 1.674) 3.816 3.721 ( 5.813 -3.304 -1.953) 6.966 3.852 ( 4.616 6.000 -5.971) 9.641 4.167 ( 0.360 5.072 0.784) 5.145 4.646 ( -2.540 2.994 2.592) 4.705 4.722 ( -9.566 4.747 2.485) 10.964 4.810 ( -10.899 12.819 -0.652) 16.839 4.942 ( -4.232 -3.228 0.339) 5.333 5.306 ( -11.212 1.835 -3.362) 11.848 5.641 ( 3.248 -3.631 13.210) 14.079 5.859 ( 7.510 -3.392 -5.091) 9.686 6.075 ( 4.018 -0.136 0.191) 4.025 6.169 ( 1.657 -3.464 -1.811) 4.245 6.244 ( 1.036 -0.550 -1.910) 2.241 6.548 ( 0.713 -9.818 -9.924) 13.978 6.713 ( 4.463 -4.581 2.678) 6.933 6.818 ( 12.585 -2.496 -9.248) 15.816 7.028 ( -2.730 -1.167 9.533) 9.985 7.104 ( -0.903 0.505 10.632) 10.682 7.358 ( -4.538 0.924 -2.585) 5.304 7.442 ( -3.737 -0.947 -2.738) 4.728 8.009 ( 12.272 1.240 2.594) 12.605 8.285 ( -4.146 -7.140 -3.658) 9.031 8.333 ( 1.619 -0.822 4.193) 4.569 8.558 ( -1.605 4.647 -5.246) 7.190 8.590 ( -0.636 -0.484 1.081) 1.345 8.937 ( -0.217 -1.716 -3.144) 3.588 9.091 ( 0.158 5.003 1.779) 5.313 9.311 ( -3.133 6.250 -0.067) 6.991 9.627 ( -2.150 2.573 2.986) 4.490 9.931 ( 2.689 1.419 -1.138) 3.247 10.461 ( 1.860 4.213 -1.769) 4.933 10.728 ( 3.467 -4.675 3.430) 6.757 11.592 ( -13.114 -3.501 7.280) 15.402 12.004 ( -5.101 -5.207 -0.900) 7.344 12.594 ( 0.605 3.692 0.079) 3.742 12.680 ( 2.635 8.695 -1.753) 9.253 12.934 ( 2.802 -6.525 -2.308) 7.467 13.767 ( -0.165 -0.234 -0.839) 0.886 13.947 ( 0.207 -1.202 0.140) 1.228 14.096 ( -7.218 -1.104 -2.049) 7.584 14.458 ( 1.175 3.943 5.683) 7.016 14.528 ( 0.740 -1.750 0.310) 1.925 14.670 ( -1.464 -1.961 0.505) 2.499 15.020 ( -1.106 -0.304 2.555) 2.800 15.306 ( -1.320 1.229 -15.132) 15.239 15.463 ( -1.006 2.522 4.107) 4.923 15.852 ( 0.637 -2.164 0.087) 2.257 16.311 ( 12.846 3.029 4.288) 13.877 17.311 ( -11.477 1.341 -5.075) 12.620 17.702 ( -3.212 -5.508 10.592) 12.363 17.920 ( -0.320 -4.955 -9.316) 10.557 18.547 ( 2.866 -3.657 -2.282) 5.177 18.936 ( -0.252 -0.152 -4.706) 4.716 19.267 ( -0.256 1.920 -0.982) 2.172 19.730 ( 8.925 -8.519 2.380) 12.566 19.820 ( -5.431 -1.605 10.977) 12.352 20.283 ( 5.266 7.158 -0.561) 8.904 21.151 ( 1.777 0.006 5.753) 6.021 21.351 ( 10.864 7.402 -7.283) 15.029 22.726 ( -9.028 4.353 -0.390) 10.030 23.168 ( -2.094 1.816 0.332) 2.791 23.751 ( -2.732 -2.402 6.084) 7.089 23.877 ( 1.349 -5.827 -5.668) 8.240 24.450 ( 2.643 2.913 1.423) 4.183 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.902 21.439 -4.248) 21.875 1.054 ( -2.023 24.284 4.703) 24.818 1.730 ( -5.391 16.623 -1.522) 17.541 1.910 ( 4.887 -0.867 6.610) 8.266 2.221 ( 4.102 2.536 2.092) 5.257 2.326 ( -3.234 7.443 -6.486) 10.388 2.436 ( -1.068 6.860 2.021) 7.231 2.643 ( 7.846 2.996 0.718) 8.430 2.875 ( -5.171 7.203 0.023) 8.867 2.900 ( -3.124 3.993 -1.415) 5.264 3.140 ( 2.789 -0.106 1.770) 3.304 3.296 ( -4.234 -0.049 0.268) 4.243 3.537 ( 0.895 4.548 1.184) 4.784 3.613 ( 1.071 1.946 -1.240) 2.544 3.813 ( 4.829 4.943 -3.483) 7.739 3.871 ( 6.538 -4.931 0.853) 8.234 4.095 ( -2.933 4.485 -0.847) 5.426 4.516 ( -3.547 11.101 2.562) 11.932 4.558 ( -5.838 6.080 2.456) 8.780 4.618 ( -6.446 -0.298 1.259) 6.575 4.911 ( -3.919 0.588 -1.472) 4.228 5.140 ( -5.288 3.475 -2.935) 6.975 5.809 ( 5.884 -1.735 9.498) 11.307 5.956 ( 4.731 -3.535 -1.247) 6.036 6.112 ( -1.183 -3.832 -2.823) 4.905 6.216 ( 0.495 -4.340 -1.726) 4.697 6.248 ( -1.158 -1.206 0.065) 1.673 6.661 ( 4.102 -9.682 -6.226) 12.220 6.803 ( -0.713 -2.438 0.237) 2.551 6.969 ( 12.365 -2.682 -9.146) 15.612 7.058 ( -4.804 -1.074 10.773) 11.845 7.154 ( -0.849 -0.423 6.915) 6.980 7.300 ( -1.137 1.131 -3.077) 3.470 7.425 ( -2.287 -6.678 0.062) 7.059 8.149 ( 10.365 2.989 4.139) 11.555 8.250 ( -1.621 0.492 -4.737) 5.031 8.404 ( -2.281 2.879 0.041) 3.673 8.477 ( -2.487 -6.336 2.572) 7.277 8.620 ( 3.796 -1.038 -0.122) 3.937 8.930 ( 1.038 0.611 -2.439) 2.720 9.032 ( 0.041 6.025 1.780) 6.283 9.157 ( -5.804 5.564 -1.745) 8.227 9.590 ( -3.526 2.081 3.923) 5.670 9.933 ( 1.638 1.194 -0.691) 2.141 10.406 ( 0.890 4.864 -1.587) 5.194 10.874 ( 5.425 -5.754 2.120) 8.188 11.505 ( -15.886 -4.379 8.077) 18.351 12.035 ( -1.058 -6.209 -1.172) 6.407 12.555 ( -0.254 3.642 2.145) 4.235 12.584 ( 1.577 7.423 -2.407) 7.961 13.036 ( 1.759 -6.177 -3.019) 7.097 13.747 ( -0.482 1.376 -1.077) 1.813 13.965 ( -1.636 -1.379 -0.397) 2.176 14.030 ( -3.299 -2.169 -0.920) 4.054 14.469 ( 4.000 3.464 4.724) 7.093 14.569 ( -0.515 -2.397 2.197) 3.292 14.675 ( -2.553 -2.467 -1.709) 3.941 15.037 ( -2.149 0.362 8.579) 8.851 15.166 ( 0.981 3.794 -17.300) 17.738 15.421 ( -1.339 3.870 1.870) 4.502 15.909 ( 0.837 -4.386 1.201) 4.624 16.458 ( 17.350 8.114 5.584) 19.951 17.033 ( -17.725 4.596 -8.547) 20.207 17.725 ( -2.902 -1.195 3.346) 4.588 18.104 ( 12.306 -9.928 1.508) 15.884 18.575 ( -0.380 0.129 -2.182) 2.219 18.969 ( -0.306 -8.799 -4.072) 9.700 19.206 ( -3.515 1.716 -0.614) 3.959 19.700 ( -2.298 5.063 0.985) 5.646 20.097 ( 5.528 -12.183 7.085) 15.139 20.265 ( 3.798 2.061 0.235) 4.328 21.207 ( 1.641 1.804 7.862) 8.232 21.325 ( 8.197 6.770 -8.637) 13.698 22.529 ( -8.290 6.967 -0.758) 10.856 23.093 ( -3.306 4.046 0.016) 5.225 23.830 ( -0.092 -4.907 8.556) 9.863 23.933 ( 0.679 -6.185 -6.702) 9.145 24.441 ( 2.756 4.807 1.190) 5.667 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.000 24.487 -0.000) 24.487 0.721 ( 0.000 26.317 -0.000) 26.317 1.231 ( 0.000 41.328 -0.000) 41.328 1.968 ( -0.000 -1.324 0.000) 1.324 2.117 ( 0.000 6.278 -0.000) 6.278 2.283 ( 0.000 10.106 -0.000) 10.106 2.421 ( 0.000 0.981 -0.000) 0.981 2.698 ( 0.000 0.793 -0.000) 0.793 2.804 ( -0.000 -9.772 0.000) 9.772 2.849 ( 0.000 0.515 -0.000) 0.515 3.149 ( 0.000 1.925 -0.000) 1.925 3.261 ( 0.000 0.449 -0.000) 0.449 3.495 ( 0.000 3.026 -0.000) 3.026 3.581 ( 0.000 2.748 -0.000) 2.748 3.777 ( 0.000 3.868 -0.000) 3.868 3.935 ( 0.000 10.580 -0.000) 10.580 4.033 ( -0.000 -8.635 0.000) 8.635 4.410 ( 0.000 5.466 -0.000) 5.466 4.469 ( 0.000 3.166 -0.000) 3.166 4.574 ( 0.000 1.278 -0.000) 1.278 4.841 ( 0.000 2.511 -0.000) 2.511 5.053 ( 0.000 4.300 -0.000) 4.300 5.928 ( -0.000 -2.920 0.000) 2.920 6.068 ( -0.000 -1.671 0.000) 1.671 6.087 ( -0.000 -4.373 0.000) 4.373 6.248 ( -0.000 -2.169 0.000) 2.169 6.297 ( -0.000 -5.549 0.000) 5.549 6.781 ( 0.000 1.184 -0.000) 1.184 6.810 ( -0.000 -8.789 0.000) 8.789 6.982 ( 0.000 6.399 -0.000) 6.399 7.114 ( -0.000 -4.844 0.000) 4.844 7.186 ( -0.000 -3.312 0.000) 3.312 7.267 ( 0.000 1.270 -0.000) 1.270 7.538 ( -0.000 -9.055 0.000) 9.055 8.183 ( 0.000 3.402 -0.000) 3.402 8.200 ( 0.000 4.953 -0.000) 4.953 8.324 ( 0.000 2.539 -0.000) 2.539 8.582 ( -0.000 -7.901 0.000) 7.901 8.686 ( -0.000 -1.595 0.000) 1.595 8.932 ( 0.000 0.131 -0.000) 0.131 8.954 ( 0.000 4.923 -0.000) 4.923 9.058 ( 0.000 2.448 -0.000) 2.448 9.522 ( 0.000 3.793 -0.000) 3.793 9.932 ( 0.000 0.444 -0.000) 0.444 10.344 ( 0.000 4.289 -0.000) 4.289 11.013 ( -0.000 -6.165 0.000) 6.165 11.447 ( -0.000 -2.271 0.000) 2.271 12.116 ( -0.000 -6.862 0.000) 6.862 12.480 ( 0.000 7.487 -0.000) 7.487 12.534 ( 0.000 1.301 -0.000) 1.301 13.096 ( -0.000 -3.332 0.000) 3.332 13.718 ( 0.000 1.388 -0.000) 1.388 13.952 ( -0.000 -0.289 0.000) 0.289 14.055 ( -0.000 -3.273 0.000) 3.273 14.521 ( 0.000 0.616 -0.000) 0.616 14.584 ( -0.000 -1.803 0.000) 1.803 14.656 ( -0.000 -0.324 0.000) 0.324 15.032 ( 0.000 3.250 -0.000) 3.250 15.061 ( 0.000 3.482 -0.000) 3.482 15.370 ( 0.000 2.658 -0.000) 2.658 15.989 ( -0.000 -5.143 0.000) 5.143 16.538 ( 0.000 12.950 -0.000) 12.950 16.761 ( 0.000 0.659 -0.000) 0.659 17.731 ( -0.000 -0.895 0.000) 0.895 18.405 ( -0.000 -12.976 0.000) 12.976 18.541 ( 0.000 0.900 -0.000) 0.900 19.041 ( -0.000 -6.632 0.000) 6.632 19.157 ( 0.000 1.713 -0.000) 1.713 19.614 ( 0.000 5.936 -0.000) 5.936 20.186 ( 0.000 0.851 -0.000) 0.851 20.418 ( -0.000 -14.650 0.000) 14.650 21.180 ( 0.000 7.205 -0.000) 7.205 21.305 ( 0.000 2.631 -0.000) 2.631 22.382 ( 0.000 5.523 -0.000) 5.523 22.997 ( 0.000 5.364 -0.000) 5.364 23.959 ( -0.000 -6.843 0.000) 6.843 23.974 ( -0.000 -4.754 0.000) 4.754 24.399 ( 0.000 5.681 -0.000) 5.681 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 26.096 -0.000 -2.453) 26.211 1.271 ( 20.796 -0.000 10.433) 23.266 1.536 ( 5.214 -0.000 -6.306) 8.182 2.070 ( 8.316 -0.000 -0.060) 8.316 2.093 ( -2.623 0.000 -5.414) 6.016 2.382 ( 2.942 -0.000 0.172) 2.947 2.605 ( 19.591 -0.000 1.733) 19.667 2.691 ( -3.016 0.000 9.245) 9.725 2.885 ( 6.428 -0.000 3.223) 7.190 2.938 ( 2.367 -0.000 -3.602) 4.310 3.243 ( 5.520 -0.000 -1.403) 5.695 3.520 ( 1.077 -0.000 -2.902) 3.096 3.550 ( -1.868 0.000 2.682) 3.268 3.671 ( 2.759 -0.000 5.310) 5.984 3.830 ( 5.979 -0.000 2.658) 6.543 3.896 ( 10.386 -0.000 13.273) 16.853 4.200 ( 1.742 -0.000 -2.743) 3.249 4.345 ( 0.118 -0.000 -2.042) 2.045 4.411 ( 8.637 -0.000 -2.715) 9.053 4.657 ( -0.452 0.000 3.613) 3.642 5.242 ( 11.712 -0.000 -1.142) 11.768 5.326 ( 7.878 -0.000 -3.776) 8.736 5.595 ( -5.740 0.000 -10.040) 11.565 5.872 ( 7.134 -0.000 5.069) 8.751 5.914 ( -4.533 0.000 -7.975) 9.174 6.076 ( -5.218 0.000 -8.293) 9.798 6.303 ( -6.760 0.000 3.375) 7.556 6.622 ( -9.228 0.000 -3.649) 9.923 6.753 ( -0.524 0.000 3.702) 3.738 6.963 ( -5.296 0.000 -0.997) 5.389 7.189 ( -5.467 0.000 6.090) 8.183 7.241 ( -1.822 0.000 5.909) 6.183 7.350 ( 3.585 -0.000 1.804) 4.013 7.669 ( 2.694 -0.000 5.346) 5.986 7.857 ( 2.429 -0.000 -11.383) 11.639 8.087 ( -1.566 0.000 -1.363) 2.076 8.255 ( -6.475 0.000 -4.221) 7.729 8.474 ( 1.308 -0.000 -2.795) 3.086 8.812 ( 5.008 -0.000 1.621) 5.264 8.902 ( 10.253 -0.000 -4.687) 11.273 8.990 ( 3.627 -0.000 -4.857) 6.062 9.316 ( 2.073 -0.000 9.570) 9.792 9.816 ( -3.137 0.000 -1.170) 3.348 9.953 ( 7.125 -0.000 -7.550) 10.381 10.470 ( 3.058 -0.000 5.149) 5.989 10.610 ( -2.666 0.000 -5.057) 5.717 11.941 ( 2.231 -0.000 -10.145) 10.388 12.151 ( -11.871 0.000 3.277) 12.315 12.169 ( 1.640 -0.000 -3.981) 4.306 12.704 ( 9.655 -0.000 3.292) 10.201 13.268 ( -3.275 0.000 -7.128) 7.844 13.862 ( 4.661 -0.000 3.519) 5.840 13.953 ( -6.621 0.000 0.829) 6.672 14.264 ( 3.566 -0.000 5.320) 6.405 14.282 ( 6.622 -0.000 -3.002) 7.271 14.433 ( -2.228 0.000 -10.970) 11.194 14.923 ( -0.396 0.000 1.289) 1.348 15.081 ( -4.286 0.000 15.174) 15.768 15.259 ( -2.210 0.000 2.025) 2.998 15.304 ( 5.200 -0.000 -10.538) 11.751 15.850 ( 2.902 -0.000 5.021) 5.799 16.060 ( -0.768 0.000 0.772) 1.089 16.670 ( -8.884 0.000 3.836) 9.676 17.710 ( -5.934 0.000 2.218) 6.335 17.934 ( 2.365 -0.000 12.360) 12.584 18.513 ( -14.519 0.000 -0.463) 14.526 18.867 ( 4.955 -0.000 3.663) 6.161 19.429 ( -1.918 0.000 -8.990) 9.192 19.625 ( -7.799 0.000 1.640) 7.970 20.034 ( -4.103 0.000 -3.955) 5.699 20.561 ( 9.741 -0.000 2.563) 10.073 20.853 ( 0.708 -0.000 -3.968) 4.031 21.801 ( 11.386 -0.000 -7.358) 13.557 22.120 ( 4.518 -0.000 7.857) 9.064 23.396 ( -3.072 0.000 1.139) 3.276 23.509 ( 2.059 -0.000 -6.723) 7.032 24.046 ( -1.798 0.000 0.883) 2.003 24.317 ( 1.103 -0.000 2.405) 2.646 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 23.965 -4.591 0.639) 24.409 1.528 ( 10.817 2.486 7.785) 13.557 1.651 ( 18.162 0.584 -1.655) 18.246 1.988 ( 0.370 4.626 -5.541) 7.228 2.201 ( 4.780 -4.961 -2.166) 7.221 2.395 ( 0.064 2.492 -4.347) 5.011 2.620 ( 3.455 7.593 7.958) 11.529 2.784 ( 3.305 -1.450 2.269) 4.263 2.980 ( 4.799 -0.083 1.459) 5.017 3.055 ( 10.881 -0.875 1.967) 11.092 3.276 ( 2.216 0.238 -2.095) 3.059 3.460 ( 1.979 6.736 -0.680) 7.054 3.590 ( 3.332 -1.049 -0.202) 3.499 3.737 ( 1.712 0.612 5.433) 5.729 3.857 ( 4.264 8.508 2.359) 9.805 4.075 ( 5.920 2.953 8.161) 10.506 4.254 ( 5.807 -2.761 7.705) 10.035 4.432 ( -1.731 -11.787 -0.990) 11.955 4.517 ( 8.304 -3.747 -4.944) 10.365 4.714 ( 1.815 -2.985 5.903) 6.859 5.350 ( -0.447 0.547 -3.984) 4.046 5.384 ( 7.845 -1.872 -2.749) 8.521 5.498 ( 3.106 0.045 -7.136) 7.783 5.820 ( 0.162 3.787 -7.319) 8.242 5.978 ( 5.335 0.693 -0.963) 5.466 6.006 ( -0.699 -4.280 -4.448) 6.212 6.215 ( -5.981 3.534 2.745) 7.469 6.473 ( -11.428 -1.293 -4.296) 12.277 6.757 ( 1.231 1.779 0.315) 2.186 6.885 ( -5.603 2.218 0.947) 6.100 7.080 ( -2.593 6.564 4.016) 8.120 7.257 ( -4.692 1.808 8.876) 10.202 7.443 ( 0.743 -6.079 2.148) 6.490 7.692 ( 2.236 8.219 -2.887) 8.994 7.787 ( 3.382 1.432 -2.453) 4.417 8.066 ( -5.414 -0.204 -1.092) 5.526 8.225 ( -2.314 -10.223 -3.159) 10.947 8.476 ( 2.171 0.551 -3.192) 3.900 8.840 ( 1.912 2.137 -4.971) 5.739 8.942 ( 4.032 2.896 -0.862) 5.039 9.067 ( 6.198 -4.177 -3.536) 8.269 9.394 ( 2.995 0.838 7.161) 7.807 9.774 ( -2.496 -0.449 -1.479) 2.936 9.971 ( 7.328 4.342 -5.129) 9.943 10.509 ( 2.288 2.613 3.955) 5.263 10.602 ( 0.943 -2.458 -2.172) 3.413 11.840 ( -4.931 4.758 -2.337) 7.240 12.013 ( -11.720 -0.803 2.130) 11.939 12.254 ( 3.588 -8.678 -4.813) 10.552 12.831 ( 9.676 3.178 3.580) 10.796 13.176 ( -0.442 3.690 -5.602) 6.723 13.787 ( -4.163 5.615 -0.233) 6.994 14.014 ( -1.176 -7.866 1.307) 8.060 14.243 ( -0.150 7.865 -4.936) 9.287 14.337 ( 5.011 -1.278 -0.991) 5.265 14.425 ( 0.774 -5.081 -1.324) 5.307 14.876 ( -1.352 5.241 2.403) 5.922 15.149 ( -5.406 -6.566 6.610) 10.772 15.182 ( -0.390 5.956 0.986) 6.050 15.374 ( 3.892 -4.512 -4.352) 7.378 15.889 ( 1.146 2.632 5.179) 5.921 16.059 ( -0.412 -0.796 1.012) 1.352 16.719 ( -6.756 -18.169 0.992) 19.410 17.590 ( -6.948 4.634 1.368) 8.463 18.099 ( 0.971 -7.683 11.596) 13.944 18.296 ( -17.403 -0.373 -3.256) 17.709 18.965 ( 8.648 3.655 7.196) 11.829 19.367 ( -3.162 -3.234 -7.271) 8.563 19.525 ( -3.122 5.507 1.483) 6.502 19.957 ( -4.177 -0.308 -4.580) 6.207 20.631 ( 11.260 10.589 1.226) 15.505 20.905 ( 2.160 -6.260 -0.648) 6.654 21.723 ( 10.031 16.207 -6.397) 20.105 22.394 ( 4.545 -17.471 3.523) 18.393 23.303 ( -1.736 6.576 0.079) 6.801 23.555 ( -1.982 -8.136 -3.491) 9.072 24.003 ( -2.981 2.639 0.657) 4.035 24.359 ( 1.692 -1.009 3.018) 3.604 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 17.613 -0.672 0.401) 17.630 1.597 ( 6.598 6.693 0.507) 9.412 1.841 ( 13.007 4.016 3.782) 14.128 1.973 ( 8.328 2.536 -1.874) 8.905 2.246 ( -4.385 5.466 -4.291) 8.217 2.308 ( 6.466 -2.003 -3.657) 7.694 2.690 ( 4.642 1.706 9.503) 10.713 2.835 ( 7.266 3.662 -0.209) 8.139 3.047 ( 3.823 0.980 3.084) 5.009 3.164 ( 4.064 -0.803 1.610) 4.444 3.280 ( 2.476 0.298 -4.228) 4.909 3.401 ( 3.418 7.692 0.284) 8.422 3.634 ( 5.631 2.248 -1.490) 6.243 3.742 ( -1.329 4.533 3.730) 6.019 3.793 ( 0.945 6.600 5.297) 8.515 4.101 ( 4.200 5.799 0.966) 7.225 4.382 ( 4.093 4.991 9.991) 11.895 4.534 ( -1.866 -8.807 -2.802) 9.429 4.669 ( 2.733 -10.785 -1.347) 11.207 4.831 ( 1.945 -2.975 7.416) 8.224 5.258 ( -6.885 1.346 -2.456) 7.433 5.424 ( -2.928 -5.760 -5.818) 8.695 5.556 ( 4.808 5.324 -0.537) 7.194 5.751 ( 6.177 3.367 -7.980) 10.638 5.998 ( 2.856 0.545 -0.257) 2.919 6.056 ( 3.404 -0.375 -0.964) 3.557 6.166 ( 2.064 -1.546 -0.401) 2.610 6.345 ( -7.861 -3.564 -4.953) 9.951 6.725 ( -0.858 3.117 -4.132) 5.247 6.809 ( -0.506 2.734 3.049) 4.126 7.022 ( -1.238 2.193 1.904) 3.158 7.208 ( -5.364 4.357 11.943) 13.798 7.506 ( 1.545 1.944 -0.271) 2.498 7.528 ( -4.737 4.126 -6.825) 9.276 7.871 ( 7.024 -0.396 4.320) 8.256 8.007 ( -5.617 -4.339 -1.107) 7.184 8.336 ( -0.805 -9.171 -1.904) 9.401 8.473 ( 2.673 0.919 -3.689) 4.647 8.759 ( -1.889 2.688 -8.507) 9.119 8.943 ( 0.555 1.579 1.344) 2.146 9.161 ( 5.758 -0.477 -1.821) 6.058 9.451 ( 3.126 2.162 4.456) 5.857 9.746 ( -1.531 -0.033 -0.909) 1.781 9.974 ( 6.776 4.594 -2.980) 8.712 10.541 ( 4.441 2.079 3.243) 5.879 10.622 ( 0.183 -0.208 -0.612) 0.672 11.699 ( -7.705 3.679 1.164) 8.617 11.912 ( -10.797 -3.631 1.680) 11.515 12.399 ( 3.226 -10.450 -3.899) 11.611 12.894 ( 8.352 6.920 1.292) 10.923 13.084 ( -0.150 6.591 -2.602) 7.088 13.699 ( -2.493 0.024 -0.050) 2.493 14.066 ( -4.864 -3.632 -1.825) 6.338 14.102 ( -1.524 4.800 -3.545) 6.159 14.416 ( 4.884 -1.862 -1.104) 5.342 14.489 ( 1.125 -1.864 1.809) 2.831 14.797 ( -1.273 6.371 2.715) 7.041 15.090 ( -1.002 4.075 -2.287) 4.779 15.214 ( -5.727 -7.437 3.566) 10.041 15.448 ( 4.270 -2.127 -2.521) 5.396 15.872 ( -1.724 2.779 2.982) 4.426 16.119 ( 3.906 -3.458 3.548) 6.309 16.932 ( -6.263 -24.571 -1.375) 25.394 17.472 ( -4.988 2.200 0.821) 5.513 18.044 ( -17.720 -0.861 -3.006) 17.994 18.283 ( 0.303 -7.927 5.148) 9.457 19.061 ( 6.694 4.203 6.424) 10.185 19.348 ( -3.711 -4.057 -2.016) 5.856 19.448 ( 6.044 8.201 2.467) 10.482 19.884 ( -4.516 -0.692 -3.319) 5.647 20.603 ( 7.971 11.191 -1.324) 13.804 21.027 ( 4.345 -3.693 3.790) 6.847 21.617 ( 9.931 12.120 -7.935) 17.564 22.655 ( 1.446 -12.594 2.702) 12.961 23.204 ( -1.893 4.164 -1.220) 4.734 23.610 ( -3.298 -7.519 -1.583) 8.362 23.919 ( -3.199 4.182 0.316) 5.275 24.417 ( 1.975 -1.291 2.981) 3.802 ======================= Grid point 23 (17/140) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 9.316 8.657 -0.945) 12.753 1.611 ( 9.052 3.499 -1.257) 9.786 1.866 ( -0.261 8.636 4.099) 9.563 2.030 ( 10.299 6.379 -1.856) 12.256 2.107 ( -1.800 4.986 -0.678) 5.344 2.450 ( 9.533 -4.177 -0.588) 10.424 2.726 ( 0.051 2.786 2.760) 3.922 2.901 ( 8.597 4.558 2.994) 10.181 3.068 ( 1.898 2.993 2.197) 4.170 3.195 ( 1.634 2.958 -1.898) 3.876 3.294 ( 2.280 0.215 -2.128) 3.127 3.326 ( 1.331 8.311 0.645) 8.442 3.665 ( 0.342 3.718 4.902) 6.162 3.682 ( 6.291 4.836 2.027) 8.190 3.764 ( -0.031 3.498 2.072) 4.066 4.040 ( 3.091 8.504 -3.288) 9.627 4.373 ( 2.558 8.500 6.024) 10.728 4.575 ( -4.125 -5.185 -2.500) 7.082 4.806 ( -0.495 -7.324 0.923) 7.399 4.886 ( -0.806 2.634 5.881) 6.495 5.093 ( -8.650 6.410 -6.085) 12.367 5.341 ( -11.815 4.347 -2.096) 12.762 5.515 ( -1.579 -4.321 6.443) 7.917 5.788 ( 7.479 -1.929 -4.872) 9.132 6.069 ( 2.523 -1.514 -1.836) 3.468 6.092 ( 2.321 -0.335 -0.570) 2.414 6.224 ( 4.155 -2.035 -3.941) 6.077 6.358 ( 4.190 -4.215 -3.525) 6.910 6.669 ( -0.059 -0.115 1.251) 1.258 6.807 ( 4.823 1.409 -4.650) 6.846 7.002 ( -1.043 0.967 3.009) 3.328 7.183 ( -3.153 2.885 13.648) 14.302 7.359 ( -5.588 3.018 -5.060) 8.120 7.483 ( -1.392 1.978 -3.659) 4.386 8.010 ( 7.421 -1.347 7.288) 10.488 8.030 ( -3.423 -8.513 -1.837) 9.357 8.384 ( 1.750 -0.419 -3.306) 3.764 8.495 ( -0.256 -3.943 -1.386) 4.187 8.636 ( -4.490 1.391 -8.952) 10.111 8.944 ( 1.787 1.661 2.064) 3.196 9.196 ( 3.576 2.862 -0.389) 4.597 9.449 ( -0.539 4.289 1.361) 4.532 9.724 ( 0.832 2.480 0.644) 2.694 9.980 ( 4.213 3.150 -1.556) 5.486 10.577 ( 3.878 4.242 -0.915) 5.820 10.634 ( 1.553 -1.981 3.032) 3.941 11.565 ( -10.391 1.432 2.923) 10.889 11.862 ( -7.685 -5.196 1.069) 9.338 12.550 ( 2.779 -9.036 -2.642) 9.816 12.880 ( 6.320 7.788 -2.508) 10.339 12.965 ( -1.663 8.176 0.853) 8.387 13.721 ( 1.354 -2.683 1.217) 3.243 13.972 ( -2.849 2.395 -2.849) 4.687 14.053 ( -5.753 -2.008 -2.267) 6.502 14.485 ( 3.050 -1.471 -0.570) 3.434 14.523 ( 0.795 0.417 3.042) 3.172 14.715 ( -1.099 5.851 1.998) 6.279 15.032 ( -0.710 1.529 0.290) 1.710 15.236 ( -4.852 -5.572 -3.827) 8.320 15.504 ( 3.412 -0.044 -0.415) 3.437 15.831 ( -1.942 0.997 0.806) 2.327 16.285 ( 9.617 -4.708 4.326) 11.548 17.124 ( -12.551 -19.498 -1.363) 23.229 17.452 ( 0.964 -4.855 1.249) 5.105 17.844 ( -11.878 -1.244 -4.093) 12.625 18.394 ( -0.716 -7.283 0.133) 7.319 19.053 ( 0.644 6.711 0.290) 6.748 19.319 ( -2.730 0.591 -0.405) 2.822 19.564 ( 13.325 -0.319 7.688) 15.387 19.825 ( -4.591 -0.755 0.405) 4.670 20.531 ( 4.885 10.461 -1.408) 11.631 21.146 ( 4.947 -0.824 5.951) 7.783 21.548 ( 8.055 7.764 -9.853) 14.908 22.768 ( -2.244 -2.101 2.542) 3.988 23.148 ( -2.214 -1.392 -1.514) 3.022 23.653 ( -3.238 -6.046 0.172) 6.861 23.835 ( -1.611 3.001 -0.796) 3.498 24.472 ( 1.953 -0.730 2.273) 3.085 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 1.601 13.816 -2.534) 14.137 1.609 ( 4.434 15.729 1.229) 16.388 1.807 ( 3.337 -1.447 4.454) 5.750 2.007 ( -3.807 -1.049 -3.592) 5.338 2.078 ( 8.316 8.252 1.934) 11.874 2.567 ( 2.580 0.769 -0.341) 2.714 2.715 ( 3.632 1.686 0.975) 4.121 2.833 ( -1.081 15.648 0.435) 15.691 3.094 ( 0.655 8.261 -0.702) 8.317 3.115 ( 0.372 0.204 0.715) 0.831 3.189 ( 2.280 11.290 1.037) 11.564 3.300 ( -2.103 0.842 -1.221) 2.574 3.655 ( 1.948 4.640 6.748) 8.418 3.721 ( 1.407 5.167 -0.802) 5.415 3.761 ( 5.112 -1.546 1.533) 5.556 3.952 ( 3.614 6.272 -4.484) 8.515 4.305 ( 3.451 11.409 1.524) 12.016 4.547 ( -6.164 -3.093 -0.818) 6.945 4.768 ( -7.132 7.589 0.610) 10.432 4.840 ( -5.561 9.945 -1.444) 11.485 4.903 ( 1.540 -1.176 2.721) 3.340 5.142 ( -10.101 -0.570 -3.268) 10.631 5.675 ( 1.950 -8.871 10.316) 13.745 5.873 ( 3.971 -1.318 -2.689) 4.974 6.071 ( 0.089 -2.740 -6.660) 7.202 6.123 ( -0.555 -2.815 -0.012) 2.869 6.245 ( 1.114 1.010 -1.582) 2.183 6.426 ( 2.348 -2.677 -2.763) 4.507 6.759 ( 6.552 -2.830 1.457) 7.284 6.861 ( 5.761 -4.211 -5.730) 9.152 7.005 ( -1.557 -0.125 5.066) 5.301 7.215 ( -1.168 0.766 12.645) 12.721 7.256 ( -3.828 -0.546 -2.593) 4.656 7.392 ( -2.733 2.520 -6.924) 7.859 8.101 ( -3.264 -9.607 -0.735) 10.173 8.176 ( 9.104 -1.304 5.448) 10.689 8.396 ( 3.511 1.906 0.814) 4.077 8.505 ( -5.694 1.200 -6.921) 9.042 8.526 ( -2.236 -5.059 -2.490) 6.066 8.968 ( 3.637 1.816 1.190) 4.236 9.179 ( 2.447 5.005 0.384) 5.584 9.331 ( -6.012 7.113 -0.421) 9.323 9.703 ( 1.855 4.813 1.392) 5.342 9.975 ( 1.736 2.037 -0.739) 2.776 10.539 ( 1.350 4.556 -1.000) 4.856 10.730 ( 3.934 -3.759 2.062) 5.818 11.441 ( -10.269 -0.356 2.894) 10.675 11.871 ( -3.416 -6.071 0.218) 6.969 12.639 ( 1.633 -0.653 -1.028) 2.037 12.822 ( 2.581 9.538 -1.812) 10.046 12.887 ( -0.159 -1.339 0.355) 1.394 13.777 ( 2.021 0.004 1.185) 2.343 13.924 ( -1.641 -1.070 -1.103) 2.248 13.985 ( -4.897 -1.275 -2.270) 5.546 14.518 ( 0.721 -0.868 -0.328) 1.176 14.553 ( 1.842 1.213 4.760) 5.246 14.645 ( -1.565 2.513 -0.885) 3.090 15.039 ( 0.796 -0.131 4.401) 4.475 15.191 ( -3.552 -1.792 -8.683) 9.552 15.518 ( 1.055 2.481 0.855) 2.828 15.819 ( -0.706 -1.709 -0.205) 1.861 16.521 ( 14.818 -3.281 3.648) 15.609 17.068 ( -17.748 -5.027 -2.577) 18.625 17.636 ( 1.396 -10.480 7.526) 12.978 17.758 ( -2.040 -7.355 -8.192) 11.197 18.477 ( -0.456 -7.515 -1.763) 7.733 18.950 ( -0.490 6.797 -1.411) 6.960 19.272 ( -1.280 2.669 0.249) 2.970 19.742 ( 1.265 -2.444 -1.971) 3.385 19.853 ( 4.620 -3.987 9.607) 11.381 20.440 ( 2.554 9.235 -0.492) 9.595 21.248 ( 4.785 0.958 7.614) 9.044 21.477 ( 3.767 5.048 -10.603) 12.332 22.699 ( -4.349 6.226 1.073) 7.670 23.148 ( -1.827 -1.919 -0.418) 2.682 23.701 ( -1.617 -5.207 2.529) 6.010 23.804 ( -0.068 -1.459 -2.629) 3.007 24.508 ( 1.512 0.459 1.216) 1.994 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 18.438 -0.000) 18.438 1.370 ( 0.000 22.391 -0.000) 22.391 1.908 ( 0.000 6.618 -0.000) 6.618 1.941 ( 0.000 0.099 -0.000) 0.099 2.127 ( -0.000 -9.569 0.000) 9.569 2.523 ( 0.000 5.740 -0.000) 5.740 2.540 ( 0.000 23.541 -0.000) 23.541 2.743 ( 0.000 1.362 -0.000) 1.362 2.953 ( 0.000 9.143 -0.000) 9.143 2.984 ( 0.000 13.125 -0.000) 13.125 3.213 ( 0.000 3.146 -0.000) 3.146 3.241 ( -0.000 -1.923 0.000) 1.923 3.623 ( 0.000 6.139 -0.000) 6.139 3.662 ( 0.000 3.921 -0.000) 3.921 3.846 ( -0.000 -4.909 0.000) 4.909 3.899 ( 0.000 4.714 -0.000) 4.714 4.180 ( 0.000 10.104 -0.000) 10.104 4.524 ( -0.000 -0.475 0.000) 0.475 4.613 ( 0.000 5.455 -0.000) 5.455 4.673 ( 0.000 11.188 -0.000) 11.188 4.911 ( 0.000 2.339 -0.000) 2.339 5.094 ( -0.000 -2.428 0.000) 2.428 5.875 ( -0.000 -10.646 0.000) 10.646 5.878 ( -0.000 -0.044 0.000) 0.044 6.066 ( 0.000 0.590 -0.000) 0.590 6.159 ( -0.000 -3.805 0.000) 3.805 6.235 ( 0.000 0.277 -0.000) 0.277 6.512 ( -0.000 -10.314 0.000) 10.314 6.818 ( 0.000 1.108 -0.000) 1.108 6.964 ( -0.000 -6.805 0.000) 6.805 7.024 ( -0.000 -1.195 0.000) 1.195 7.238 ( 0.000 5.791 -0.000) 5.791 7.262 ( -0.000 -3.970 0.000) 3.970 7.319 ( -0.000 -3.679 0.000) 3.679 8.184 ( -0.000 -6.046 0.000) 6.046 8.292 ( 0.000 0.674 -0.000) 0.674 8.395 ( 0.000 2.156 -0.000) 2.156 8.419 ( -0.000 -0.871 0.000) 0.871 8.575 ( -0.000 -6.015 0.000) 6.015 8.977 ( 0.000 2.268 -0.000) 2.268 9.146 ( 0.000 9.188 -0.000) 9.188 9.149 ( 0.000 4.409 -0.000) 4.409 9.650 ( 0.000 5.566 -0.000) 5.566 9.961 ( 0.000 1.561 -0.000) 1.561 10.479 ( 0.000 5.348 -0.000) 5.348 10.833 ( -0.000 -6.236 0.000) 6.236 11.387 ( -0.000 -1.567 0.000) 1.567 11.936 ( -0.000 -6.689 0.000) 6.689 12.613 ( 0.000 4.113 -0.000) 4.113 12.701 ( 0.000 9.408 -0.000) 9.408 12.956 ( -0.000 -6.587 0.000) 6.587 13.772 ( 0.000 2.442 -0.000) 2.442 13.927 ( -0.000 -1.590 0.000) 1.590 13.975 ( -0.000 -2.578 0.000) 2.578 14.537 ( -0.000 -1.533 0.000) 1.533 14.561 ( 0.000 3.279 -0.000) 3.279 14.620 ( -0.000 -2.162 0.000) 2.162 15.091 ( -0.000 -0.530 0.000) 0.530 15.113 ( 0.000 1.745 -0.000) 1.745 15.480 ( 0.000 4.348 -0.000) 4.348 15.854 ( -0.000 -4.120 0.000) 4.120 16.740 ( -0.000 -2.918 0.000) 2.918 16.856 ( 0.000 7.273 -0.000) 7.273 17.701 ( -0.000 -1.308 0.000) 1.308 17.960 ( -0.000 -19.425 0.000) 19.425 18.545 ( -0.000 -3.305 0.000) 3.305 18.892 ( -0.000 -0.444 0.000) 0.444 19.223 ( 0.000 3.130 -0.000) 3.130 19.733 ( 0.000 1.738 -0.000) 1.738 20.022 ( -0.000 -9.335 0.000) 9.335 20.349 ( 0.000 6.742 -0.000) 6.742 21.301 ( 0.000 2.490 -0.000) 2.490 21.394 ( 0.000 3.838 -0.000) 3.838 22.565 ( 0.000 7.988 -0.000) 7.988 23.129 ( 0.000 2.793 -0.000) 2.793 23.783 ( -0.000 -6.397 0.000) 6.397 23.832 ( -0.000 -4.564 0.000) 4.564 24.506 ( 0.000 2.131 -0.000) 2.131 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 23.930 -0.000 4.377) 24.327 1.638 ( 3.923 -0.000 5.157) 6.480 1.953 ( 17.200 -0.000 1.627) 17.276 2.039 ( 10.699 -0.000 -4.783) 11.720 2.207 ( 3.528 -0.000 -1.620) 3.882 2.362 ( -1.379 0.000 -8.557) 8.667 2.743 ( -1.979 0.000 7.434) 7.693 2.832 ( 7.772 -0.000 6.324) 10.020 3.056 ( 4.272 -0.000 2.062) 4.744 3.169 ( 2.800 -0.000 1.333) 3.101 3.298 ( 6.770 -0.000 -5.864) 8.956 3.515 ( 0.153 -0.000 0.783) 0.797 3.668 ( 9.423 -0.000 -1.565) 9.552 3.787 ( 0.134 -0.000 3.596) 3.599 4.035 ( 7.430 -0.000 1.767) 7.637 4.188 ( -3.416 0.000 7.963) 8.665 4.223 ( 0.403 -0.000 3.091) 3.117 4.445 ( 7.004 -0.000 10.305) 12.460 4.583 ( 8.250 -0.000 -3.732) 9.055 4.772 ( 4.744 -0.000 6.695) 8.206 5.288 ( -4.970 0.000 -4.425) 6.655 5.292 ( -6.070 0.000 -8.067) 10.095 5.644 ( 15.438 -0.000 -1.828) 15.546 5.862 ( -2.576 0.000 -8.423) 8.808 5.897 ( 8.278 -0.000 -4.165) 9.267 6.085 ( 7.423 -0.000 -3.504) 8.209 6.180 ( -5.469 0.000 2.803) 6.146 6.285 ( -11.850 0.000 -3.065) 12.240 6.788 ( 1.675 -0.000 -0.497) 1.747 6.828 ( -5.126 0.000 -1.075) 5.237 7.127 ( -4.936 0.000 5.610) 7.473 7.235 ( -6.539 0.000 8.436) 10.673 7.403 ( 1.924 -0.000 -0.721) 2.054 7.758 ( -0.341 0.000 -9.548) 9.554 7.855 ( 5.390 -0.000 6.040) 8.095 8.011 ( -8.291 0.000 -3.107) 8.854 8.075 ( 0.060 -0.000 2.593) 2.594 8.502 ( 4.377 -0.000 -4.363) 6.181 8.787 ( -4.794 0.000 -8.134) 9.441 8.985 ( 0.055 -0.000 -0.453) 0.456 9.135 ( 10.344 -0.000 -2.001) 10.535 9.484 ( 3.940 -0.000 5.707) 6.935 9.737 ( -1.447 0.000 -1.473) 2.065 10.055 ( 6.188 -0.000 -3.968) 7.352 10.589 ( 1.299 -0.000 3.926) 4.135 10.603 ( 5.254 -0.000 -1.278) 5.407 11.786 ( -6.748 0.000 -0.833) 6.799 11.853 ( -13.312 0.000 0.992) 13.349 12.220 ( 3.064 -0.000 -1.568) 3.442 13.002 ( 9.408 -0.000 4.133) 10.276 13.165 ( 1.809 -0.000 -7.345) 7.564 13.734 ( -7.454 0.000 -2.429) 7.839 13.969 ( -1.000 0.000 3.933) 4.058 14.210 ( -5.581 0.000 -9.568) 11.076 14.382 ( 5.348 -0.000 -2.774) 6.024 14.444 ( 4.723 -0.000 4.970) 6.857 14.907 ( -1.774 0.000 3.073) 3.548 15.076 ( -4.342 0.000 4.227) 6.060 15.228 ( -1.092 0.000 -1.199) 1.622 15.371 ( 4.371 -0.000 -0.580) 4.409 15.951 ( 0.426 -0.000 4.011) 4.034 16.041 ( -1.329 0.000 0.230) 1.349 16.527 ( -4.964 0.000 1.528) 5.194 17.509 ( -9.183 0.000 -0.835) 9.221 18.055 ( -15.777 0.000 -5.286) 16.639 18.139 ( 0.615 -0.000 11.431) 11.448 19.147 ( 7.829 -0.000 7.781) 11.038 19.276 ( -1.351 0.000 -4.013) 4.235 19.567 ( 1.257 -0.000 4.593) 4.762 19.870 ( -3.483 0.000 -7.201) 7.999 20.830 ( 1.142 -0.000 -4.288) 4.438 20.908 ( 11.642 -0.000 6.125) 13.154 21.865 ( 2.849 -0.000 -12.759) 13.073 22.388 ( 9.155 -0.000 7.493) 11.830 23.366 ( -1.278 0.000 3.898) 4.102 23.405 ( -4.335 0.000 -6.114) 7.495 23.982 ( -3.520 0.000 -0.058) 3.520 24.395 ( 1.979 -0.000 3.275) 3.826 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 7.921 3.127 4.115) 9.458 1.742 ( 11.993 1.819 2.167) 12.323 2.012 ( 6.593 4.557 -0.115) 8.015 2.199 ( -3.497 1.269 -4.117) 5.549 2.240 ( 18.021 4.780 0.457) 18.650 2.345 ( 6.795 -2.315 -4.014) 8.224 2.752 ( -2.249 0.092 4.454) 4.991 2.952 ( 4.921 0.384 4.388) 6.604 3.116 ( 2.698 0.830 2.340) 3.666 3.192 ( 1.055 -1.841 3.193) 3.834 3.336 ( 7.217 2.814 -7.157) 10.546 3.500 ( -0.527 2.832 0.869) 3.009 3.756 ( 7.357 2.939 -1.108) 7.999 3.791 ( 1.353 1.453 1.612) 2.557 3.972 ( 0.344 12.187 5.344) 13.311 4.219 ( 3.110 3.315 0.277) 4.554 4.320 ( -5.097 -11.855 2.013) 13.060 4.581 ( 6.850 4.745 10.308) 13.255 4.667 ( 6.627 -1.487 0.398) 6.804 4.891 ( 4.374 -0.741 7.379) 8.609 5.155 ( -6.314 0.466 -5.334) 8.279 5.258 ( -3.568 -6.809 -4.753) 9.038 5.665 ( -2.977 9.598 -4.177) 10.882 5.785 ( 1.018 1.305 -8.004) 8.173 6.020 ( 4.894 -4.039 1.460) 6.511 6.097 ( -5.510 -3.930 -7.708) 10.258 6.155 ( 8.460 2.846 1.958) 9.138 6.256 ( 5.829 -3.283 0.708) 6.727 6.716 ( -4.297 3.378 -3.323) 6.397 6.818 ( -0.185 -1.485 -1.218) 1.930 7.075 ( -1.738 3.597 3.898) 5.581 7.203 ( -7.311 -0.442 9.645) 12.111 7.448 ( 0.795 -1.621 -2.126) 2.790 7.615 ( -1.172 9.508 -6.085) 11.349 7.889 ( -6.066 -1.044 -1.693) 6.384 7.969 ( 5.620 -1.537 5.968) 8.341 8.181 ( -1.307 -9.754 1.961) 10.035 8.520 ( 3.905 1.650 -3.666) 5.605 8.649 ( -6.618 0.021 -10.926) 12.774 8.982 ( 0.358 0.828 1.683) 1.909 9.237 ( 7.016 0.513 -1.094) 7.119 9.547 ( 3.288 2.787 3.268) 5.409 9.725 ( -0.246 -1.206 -0.501) 1.329 10.084 ( 5.135 3.071 -2.772) 6.594 10.614 ( -0.498 0.053 2.551) 2.600 10.667 ( 7.095 2.036 0.023) 7.382 11.648 ( -9.268 4.160 0.291) 10.163 11.747 ( -8.210 -3.476 0.762) 8.948 12.293 ( 1.269 -7.420 -0.418) 7.540 13.082 ( 6.268 5.978 -0.872) 8.705 13.136 ( 1.651 2.896 -2.292) 4.046 13.665 ( -1.466 -1.096 0.521) 1.903 13.973 ( -4.065 -1.614 2.106) 4.854 14.061 ( -6.281 1.769 -7.645) 10.052 14.436 ( 3.867 -1.575 -2.424) 4.828 14.532 ( 4.212 0.179 3.238) 5.316 14.882 ( -1.034 4.545 4.694) 6.615 15.066 ( -2.460 -2.229 -1.075) 3.489 15.162 ( -1.693 4.349 0.177) 4.670 15.451 ( 3.404 -3.563 -0.241) 4.933 15.907 ( -2.430 4.964 1.932) 5.855 16.107 ( 2.046 -7.808 2.089) 8.337 16.584 ( -4.653 -14.599 -0.084) 15.322 17.402 ( -6.426 -0.659 -0.978) 6.534 17.841 ( -11.846 0.688 -4.281) 12.615 18.223 ( -1.408 -4.298 5.779) 7.338 19.211 ( 3.074 4.750 3.402) 6.602 19.300 ( 1.261 -1.917 1.965) 3.021 19.629 ( 6.661 2.914 6.141) 9.517 19.790 ( -3.452 -1.452 -6.087) 7.147 20.772 ( 1.984 6.389 -2.747) 7.232 21.101 ( 8.546 -2.096 6.364) 10.859 21.746 ( 0.420 5.887 -12.629) 13.940 22.607 ( 8.205 -6.735 6.435) 12.413 23.226 ( -4.733 6.478 -3.569) 8.781 23.462 ( -2.080 -7.901 0.628) 8.194 23.921 ( -3.267 2.202 -0.285) 3.950 24.444 ( 1.748 -0.871 2.713) 3.343 ======================= Grid point 32 (22/140) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 3.364 1.045 0.128) 3.525 1.787 ( 6.835 10.368 -0.371) 12.424 2.002 ( 1.992 8.311 2.229) 8.832 2.088 ( -2.954 4.112 -2.778) 5.775 2.335 ( 11.187 9.620 1.376) 14.818 2.491 ( 6.875 -5.543 -0.765) 8.864 2.731 ( -2.904 -0.008 1.325) 3.192 3.021 ( 2.267 -2.024 1.934) 3.602 3.117 ( 0.980 4.351 1.610) 4.742 3.262 ( 3.966 1.564 0.196) 4.267 3.332 ( 2.441 2.098 -1.185) 3.430 3.424 ( -2.054 5.623 -1.384) 6.144 3.774 ( 3.200 3.105 3.836) 5.882 3.815 ( 4.128 2.421 -1.912) 5.153 3.867 ( 0.933 9.479 5.764) 11.133 4.143 ( -1.353 6.097 -4.319) 7.594 4.408 ( -2.145 -6.447 1.818) 7.033 4.617 ( 7.366 8.270 2.687) 11.396 4.767 ( 1.570 -1.545 6.098) 6.484 4.952 ( 0.495 1.641 3.305) 3.723 5.021 ( -4.995 4.809 -7.652) 10.327 5.265 ( -6.681 4.028 -1.615) 7.967 5.451 ( -4.884 -2.988 0.849) 5.788 5.791 ( 2.875 -3.624 -3.422) 5.754 6.015 ( -3.150 -0.614 -4.125) 5.227 6.085 ( -1.130 -1.459 1.389) 2.310 6.283 ( 7.691 1.374 -1.910) 8.043 6.420 ( 10.122 -2.065 1.238) 10.405 6.637 ( -1.688 -2.848 -1.683) 3.714 6.810 ( -1.606 -1.272 -2.101) 2.935 7.048 ( 0.533 2.476 2.036) 3.249 7.192 ( -4.240 -0.570 7.584) 8.707 7.368 ( -2.468 6.925 -2.139) 7.657 7.489 ( -0.134 4.961 -3.665) 6.169 7.876 ( -3.228 -6.365 -0.418) 7.149 8.111 ( 5.876 -2.882 6.292) 9.079 8.291 ( -1.081 -8.866 -0.489) 8.945 8.493 ( -6.440 0.018 -2.253) 6.823 8.530 ( 2.570 2.050 -8.389) 9.011 8.998 ( 1.385 0.337 1.973) 2.433 9.278 ( 3.497 2.392 -0.326) 4.249 9.510 ( -0.816 6.320 0.241) 6.378 9.757 ( 1.552 -1.096 0.840) 2.077 10.070 ( 2.761 4.665 -1.326) 5.581 10.603 ( -1.168 0.661 0.179) 1.354 10.728 ( 6.187 2.571 1.221) 6.811 11.487 ( -8.046 3.478 0.720) 8.795 11.728 ( -3.951 -4.402 0.747) 5.962 12.429 ( 0.938 -10.861 -0.431) 10.910 13.011 ( 1.120 7.085 -3.710) 8.075 13.086 ( 1.698 8.774 1.792) 9.115 13.729 ( 4.075 -2.932 2.618) 5.662 13.920 ( -5.241 0.330 -2.905) 6.001 13.955 ( -4.194 -1.090 -1.960) 4.757 14.485 ( 1.739 -2.010 -1.052) 2.859 14.571 ( 2.069 1.832 1.134) 2.987 14.819 ( -0.460 7.711 3.731) 8.579 15.047 ( 0.228 0.307 -1.415) 1.466 15.114 ( -3.121 -1.277 -0.840) 3.475 15.526 ( 2.499 -2.064 -0.519) 3.283 15.834 ( -1.987 2.771 0.994) 3.552 16.307 ( 6.384 -11.931 2.602) 13.779 16.725 ( -8.012 -16.949 -1.085) 18.779 17.379 ( -1.697 -5.159 -0.281) 5.438 17.705 ( -5.850 -0.251 -2.363) 6.314 18.285 ( -1.818 -5.687 0.900) 6.038 19.171 ( 0.944 7.802 1.796) 8.062 19.329 ( 0.941 1.250 1.568) 2.215 19.683 ( 1.577 -0.648 -3.237) 3.658 19.797 ( 2.301 -1.671 5.323) 6.035 20.685 ( 1.461 8.161 -1.243) 8.383 21.252 ( 6.174 -0.598 6.780) 9.189 21.601 ( -1.087 4.244 -10.846) 11.697 22.802 ( 6.525 -1.163 5.948) 8.905 23.070 ( -6.509 0.851 -4.706) 8.077 23.542 ( -1.055 -6.605 0.568) 6.713 23.850 ( -1.728 3.018 -0.364) 3.497 24.489 ( 1.067 -1.246 1.483) 2.211 ======================= Grid point 33 (23/140) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 13.365 -0.000) 13.365 1.762 ( -0.000 -4.530 0.000) 4.530 1.865 ( 0.000 14.461 -0.000) 14.461 2.004 ( 0.000 4.127 -0.000) 4.127 2.276 ( 0.000 10.723 -0.000) 10.723 2.576 ( -0.000 -1.443 0.000) 1.443 2.733 ( -0.000 -1.616 0.000) 1.616 3.016 ( 0.000 11.262 -0.000) 11.262 3.093 ( -0.000 -3.762 0.000) 3.762 3.226 ( 0.000 8.261 -0.000) 8.261 3.296 ( 0.000 3.676 -0.000) 3.676 3.332 ( 0.000 5.900 -0.000) 5.900 3.777 ( 0.000 4.318 -0.000) 4.318 3.788 ( 0.000 3.025 -0.000) 3.025 3.804 ( 0.000 5.230 -0.000) 5.230 4.036 ( 0.000 5.553 -0.000) 5.553 4.461 ( -0.000 -3.425 0.000) 3.425 4.545 ( 0.000 15.072 -0.000) 15.072 4.777 ( 0.000 5.352 -0.000) 5.352 4.854 ( -0.000 -0.343 0.000) 0.343 4.962 ( 0.000 2.176 -0.000) 2.176 5.088 ( 0.000 7.234 -0.000) 7.234 5.577 ( -0.000 -11.511 0.000) 11.511 5.868 ( -0.000 -4.100 0.000) 4.100 5.991 ( -0.000 -2.158 0.000) 2.158 6.096 ( -0.000 -1.112 0.000) 1.112 6.274 ( 0.000 3.006 -0.000) 3.006 6.466 ( 0.000 3.903 -0.000) 3.903 6.742 ( -0.000 -9.756 0.000) 9.756 6.814 ( -0.000 -1.669 0.000) 1.669 7.034 ( 0.000 1.729 -0.000) 1.729 7.183 ( 0.000 0.373 -0.000) 0.373 7.297 ( 0.000 1.006 -0.000) 1.006 7.395 ( 0.000 6.089 -0.000) 6.089 7.956 ( -0.000 -8.701 0.000) 8.701 8.233 ( -0.000 -3.811 0.000) 3.811 8.395 ( -0.000 -8.008 0.000) 8.008 8.419 ( 0.000 0.055 -0.000) 0.055 8.490 ( 0.000 3.712 -0.000) 3.712 9.014 ( 0.000 0.430 -0.000) 0.430 9.262 ( 0.000 3.545 -0.000) 3.545 9.393 ( 0.000 8.790 -0.000) 8.790 9.769 ( 0.000 1.979 -0.000) 1.979 10.023 ( 0.000 3.911 -0.000) 3.911 10.582 ( 0.000 1.646 -0.000) 1.646 10.751 ( 0.000 0.741 -0.000) 0.741 11.393 ( 0.000 2.192 -0.000) 2.192 11.772 ( -0.000 -5.530 0.000) 5.530 12.575 ( -0.000 -9.369 0.000) 9.369 12.917 ( 0.000 5.679 -0.000) 5.679 12.971 ( 0.000 10.569 -0.000) 10.569 13.813 ( -0.000 -0.097 0.000) 0.097 13.868 ( -0.000 -2.419 0.000) 2.419 13.932 ( -0.000 -0.781 0.000) 0.781 14.513 ( -0.000 -0.893 0.000) 0.893 14.571 ( -0.000 -0.256 0.000) 0.256 14.717 ( 0.000 8.222 -0.000) 8.222 15.076 ( -0.000 -0.034 0.000) 0.034 15.089 ( -0.000 -3.096 0.000) 3.096 15.550 ( 0.000 0.593 -0.000) 0.593 15.803 ( 0.000 0.391 -0.000) 0.391 16.555 ( -0.000 -12.110 0.000) 12.110 16.814 ( -0.000 -9.705 0.000) 9.705 17.497 ( -0.000 -13.035 0.000) 13.035 17.670 ( -0.000 -0.872 0.000) 0.872 18.360 ( -0.000 -7.534 0.000) 7.534 19.060 ( 0.000 9.663 -0.000) 9.663 19.309 ( 0.000 3.040 -0.000) 3.040 19.702 ( -0.000 -2.766 0.000) 2.766 19.872 ( -0.000 -2.816 0.000) 2.816 20.577 ( 0.000 9.215 -0.000) 9.215 21.332 ( 0.000 0.089 -0.000) 0.089 21.495 ( 0.000 3.669 -0.000) 3.669 22.791 ( 0.000 8.966 -0.000) 8.966 23.069 ( -0.000 -6.860 0.000) 6.860 23.620 ( -0.000 -6.131 0.000) 6.131 23.803 ( 0.000 2.077 -0.000) 2.077 24.516 ( -0.000 -0.934 0.000) 0.934 ======================= Grid point 40 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.761 -0.000 2.316) 2.438 1.957 ( 9.938 -0.000 3.930) 10.686 2.122 ( 5.304 -0.000 -1.338) 5.470 2.140 ( -1.766 0.000 -2.765) 3.281 2.372 ( 4.487 -0.000 -2.001) 4.913 2.487 ( 13.368 -0.000 -0.005) 13.368 2.731 ( -3.684 0.000 1.559) 4.000 2.978 ( -2.158 0.000 1.187) 2.463 3.202 ( 5.345 -0.000 3.082) 6.170 3.217 ( 2.196 -0.000 4.452) 4.964 3.391 ( 4.583 -0.000 -6.156) 7.675 3.487 ( -3.909 0.000 -0.163) 3.912 3.826 ( 1.557 -0.000 3.184) 3.544 3.849 ( 4.756 -0.000 -2.838) 5.539 4.134 ( -3.153 0.000 2.851) 4.251 4.155 ( -2.319 0.000 4.793) 5.324 4.250 ( 1.858 -0.000 -3.881) 4.303 4.725 ( 4.453 -0.000 -1.289) 4.636 4.785 ( 6.003 -0.000 10.767) 12.328 4.995 ( -2.496 0.000 10.033) 10.339 5.101 ( 9.234 -0.000 -8.234) 12.372 5.135 ( -2.838 0.000 -1.129) 3.054 5.612 ( -12.770 0.000 -7.819) 14.973 5.752 ( -0.263 0.000 -3.863) 3.872 5.924 ( -4.875 0.000 -3.461) 5.979 6.055 ( 2.201 -0.000 -0.441) 2.244 6.329 ( 10.897 -0.000 -2.448) 11.168 6.349 ( 11.027 -0.000 6.248) 12.674 6.647 ( -8.423 0.000 -0.407) 8.433 6.767 ( -1.841 0.000 -5.703) 5.993 7.093 ( -1.751 0.000 2.542) 3.087 7.177 ( -3.593 0.000 6.712) 7.613 7.477 ( 4.229 -0.000 -0.471) 4.255 7.616 ( -3.287 0.000 -4.795) 5.814 7.800 ( -5.121 0.000 -1.334) 5.292 8.036 ( 5.132 -0.000 0.068) 5.132 8.140 ( -0.545 0.000 8.474) 8.492 8.481 ( -8.504 0.000 -4.401) 9.575 8.566 ( 4.462 -0.000 -7.862) 9.040 8.998 ( 0.221 -0.000 1.610) 1.625 9.308 ( 3.865 -0.000 -0.431) 3.889 9.636 ( 3.162 -0.000 2.197) 3.850 9.699 ( -0.689 0.000 -0.689) 0.975 10.144 ( 3.213 -0.000 -1.733) 3.651 10.613 ( -1.336 0.000 1.366) 1.910 10.772 ( 6.058 -0.000 0.328) 6.067 11.563 ( -8.214 0.000 -0.174) 8.216 11.660 ( -2.498 0.000 0.174) 2.504 12.247 ( -0.179 0.000 0.707) 0.729 13.120 ( -0.092 0.000 -4.191) 4.192 13.222 ( 4.193 -0.000 1.715) 4.530 13.675 ( 3.437 -0.000 3.252) 4.732 13.929 ( -7.824 0.000 -7.466) 10.814 13.935 ( -2.725 0.000 1.699) 3.211 14.449 ( 1.959 -0.000 -1.394) 2.404 14.603 ( 3.308 -0.000 1.796) 3.764 14.930 ( -0.247 0.000 2.843) 2.854 15.025 ( -1.576 0.000 0.682) 1.717 15.189 ( -0.219 0.000 -1.291) 1.309 15.451 ( 1.471 -0.000 0.686) 1.623 15.971 ( -0.918 0.000 1.283) 1.578 16.009 ( -0.844 0.000 -0.140) 0.855 16.458 ( -1.549 0.000 0.364) 1.592 17.321 ( -3.763 0.000 -0.842) 3.856 17.705 ( -6.513 0.000 -2.931) 7.142 18.208 ( -1.211 0.000 2.964) 3.202 19.305 ( 1.246 -0.000 1.354) 1.840 19.320 ( 2.529 -0.000 4.853) 5.473 19.688 ( -2.799 0.000 -7.549) 8.051 19.767 ( 4.854 -0.000 6.036) 7.746 20.807 ( 0.266 -0.000 -1.897) 1.915 21.236 ( 7.199 -0.000 6.715) 9.845 21.669 ( -4.164 0.000 -11.202) 11.951 22.732 ( 10.010 -0.000 6.656) 12.021 23.158 ( -8.198 0.000 -6.207) 10.283 23.411 ( 0.792 -0.000 2.170) 2.310 23.897 ( -2.254 0.000 -0.282) 2.272 24.469 ( 1.031 -0.000 1.578) 1.884 ======================= Grid point 41 (25/140) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 1.256 -0.000) 1.256 1.967 ( 0.000 8.440 -0.000) 8.440 2.103 ( 0.000 2.935 -0.000) 2.935 2.119 ( 0.000 4.824 -0.000) 4.824 2.451 ( -0.000 -6.411 0.000) 6.411 2.537 ( 0.000 6.927 -0.000) 6.927 2.701 ( -0.000 -0.492 0.000) 0.492 2.982 ( -0.000 -3.036 0.000) 3.036 3.206 ( 0.000 4.147 -0.000) 4.147 3.295 ( -0.000 -2.595 0.000) 2.595 3.375 ( 0.000 3.517 -0.000) 3.517 3.442 ( 0.000 1.433 -0.000) 1.433 3.841 ( 0.000 1.717 -0.000) 1.717 3.857 ( 0.000 1.551 -0.000) 1.551 4.034 ( 0.000 9.583 -0.000) 9.583 4.136 ( 0.000 1.583 -0.000) 1.583 4.324 ( -0.000 -7.124 0.000) 7.124 4.729 ( 0.000 2.577 -0.000) 2.577 4.860 ( 0.000 1.252 -0.000) 1.252 4.957 ( 0.000 2.458 -0.000) 2.458 5.066 ( 0.000 5.130 -0.000) 5.130 5.300 ( -0.000 -8.379 0.000) 8.379 5.346 ( 0.000 11.308 -0.000) 11.308 5.752 ( -0.000 -2.123 0.000) 2.123 5.933 ( -0.000 -5.391 0.000) 5.391 6.073 ( -0.000 -0.690 0.000) 0.690 6.386 ( 0.000 4.106 -0.000) 4.106 6.478 ( -0.000 -2.690 0.000) 2.690 6.574 ( -0.000 -1.071 0.000) 1.071 6.741 ( -0.000 -2.906 0.000) 2.906 7.081 ( 0.000 1.283 -0.000) 1.283 7.183 ( -0.000 -0.644 0.000) 0.644 7.455 ( 0.000 8.131 -0.000) 8.131 7.540 ( 0.000 3.756 -0.000) 3.756 7.786 ( -0.000 -3.577 0.000) 3.577 8.121 ( -0.000 -5.953 0.000) 5.953 8.195 ( -0.000 -3.600 0.000) 3.600 8.403 ( -0.000 -0.848 0.000) 0.848 8.563 ( 0.000 1.459 -0.000) 1.459 9.009 ( -0.000 -0.424 0.000) 0.424 9.324 ( 0.000 1.141 -0.000) 1.141 9.597 ( 0.000 6.600 -0.000) 6.600 9.739 ( -0.000 -3.516 0.000) 3.516 10.138 ( 0.000 3.156 -0.000) 3.156 10.603 ( 0.000 0.562 -0.000) 0.562 10.804 ( 0.000 1.624 -0.000) 1.624 11.482 ( 0.000 3.339 -0.000) 3.339 11.662 ( -0.000 -2.405 0.000) 2.405 12.303 ( -0.000 -7.850 0.000) 7.850 13.076 ( 0.000 4.097 -0.000) 4.097 13.211 ( 0.000 6.131 -0.000) 6.131 13.764 ( -0.000 -2.434 0.000) 2.434 13.824 ( -0.000 -0.824 0.000) 0.824 13.922 ( -0.000 -0.083 0.000) 0.083 14.468 ( -0.000 -1.526 0.000) 1.526 14.618 ( 0.000 1.857 -0.000) 1.857 14.913 ( 0.000 4.016 -0.000) 4.016 15.022 ( -0.000 -0.921 0.000) 0.921 15.136 ( 0.000 5.186 -0.000) 5.186 15.499 ( -0.000 -4.030 0.000) 4.030 15.878 ( 0.000 5.771 -0.000) 5.771 16.157 ( -0.000 -14.930 0.000) 14.930 16.511 ( -0.000 -8.834 0.000) 8.834 17.310 ( -0.000 -2.475 0.000) 2.475 17.656 ( -0.000 -0.234 0.000) 0.234 18.224 ( -0.000 -2.526 0.000) 2.526 19.276 ( 0.000 5.422 -0.000) 5.422 19.360 ( 0.000 0.448 -0.000) 0.448 19.647 ( -0.000 -1.063 0.000) 1.063 19.825 ( -0.000 -0.891 0.000) 0.891 20.772 ( 0.000 4.476 -0.000) 4.476 21.320 ( -0.000 -0.593 0.000) 0.593 21.577 ( 0.000 2.100 -0.000) 2.100 22.878 ( -0.000 -5.182 0.000) 5.182 23.012 ( 0.000 6.472 -0.000) 6.472 23.462 ( -0.000 -5.033 0.000) 5.033 23.869 ( 0.000 1.768 -0.000) 1.768 24.486 ( -0.000 -0.834 0.000) 0.834 ======================= Grid point 81 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 1.131 -0.000 25.526) 25.551 0.510 ( 23.491 -0.000 25.640) 34.774 0.824 ( -21.503 0.000 41.293) 46.556 1.937 ( 0.140 -0.000 -6.457) 6.458 1.981 ( -9.637 0.000 -6.932) 11.871 2.109 ( 2.593 -0.000 -0.513) 2.643 2.316 ( 0.509 -0.000 -0.876) 1.013 2.681 ( -0.725 0.000 -2.156) 2.275 2.864 ( 0.597 -0.000 1.809) 1.905 3.064 ( -0.264 0.000 -4.915) 4.922 3.125 ( -4.562 0.000 0.842) 4.640 3.242 ( 6.800 -0.000 -2.275) 7.170 3.467 ( 1.201 -0.000 0.372) 1.257 3.505 ( -4.342 0.000 4.033) 5.926 3.775 ( -0.023 0.000 4.575) 4.575 3.789 ( 1.503 -0.000 3.709) 4.002 4.135 ( -1.011 0.000 -5.531) 5.623 4.243 ( -1.573 0.000 0.611) 1.688 4.305 ( -1.764 0.000 -0.843) 1.955 4.543 ( 5.749 -0.000 -2.208) 6.158 4.817 ( 2.597 -0.000 0.773) 2.709 4.984 ( 0.955 -0.000 0.492) 1.074 5.556 ( 6.635 -0.000 -4.743) 8.155 5.838 ( -8.118 0.000 -16.530) 18.416 6.263 ( 4.037 -0.000 4.074) 5.736 6.329 ( -5.987 0.000 2.674) 6.557 6.523 ( 9.564 -0.000 -2.375) 9.855 6.790 ( 1.881 -0.000 -6.174) 6.455 7.041 ( 0.323 -0.000 7.698) 7.705 7.137 ( 0.589 -0.000 -3.314) 3.366 7.220 ( -3.579 0.000 2.382) 4.299 7.364 ( -18.623 0.000 2.117) 18.743 7.368 ( -0.544 0.000 5.560) 5.587 7.605 ( 1.152 -0.000 -1.105) 1.596 8.083 ( -12.372 0.000 -2.881) 12.703 8.198 ( 9.884 -0.000 -6.356) 11.751 8.302 ( -7.877 0.000 0.117) 7.878 8.325 ( -5.798 0.000 -0.171) 5.800 8.720 ( 1.972 -0.000 1.879) 2.724 8.825 ( -5.975 0.000 5.672) 8.239 8.947 ( -10.232 0.000 -0.301) 10.236 9.168 ( 21.913 -0.000 -3.056) 22.125 9.588 ( -24.563 0.000 3.308) 24.785 9.916 ( 1.090 -0.000 -1.512) 1.864 10.340 ( 1.582 -0.000 5.493) 5.716 10.857 ( -2.346 0.000 -3.500) 4.213 11.818 ( -50.895 0.000 2.289) 50.946 12.209 ( 7.520 -0.000 -5.421) 9.271 12.329 ( -0.327 0.000 3.237) 3.254 12.562 ( -2.458 0.000 2.465) 3.481 13.615 ( 4.384 -0.000 -4.843) 6.532 13.631 ( -5.336 0.000 -5.775) 7.863 13.968 ( 2.234 -0.000 1.168) 2.521 14.174 ( -4.816 0.000 5.535) 7.337 14.290 ( -8.300 0.000 0.596) 8.321 14.558 ( -0.351 0.000 -4.569) 4.583 14.689 ( 23.280 -0.000 -0.534) 23.286 14.767 ( 4.953 -0.000 -7.810) 9.248 15.499 ( -3.044 0.000 11.905) 12.288 15.625 ( 1.692 -0.000 0.617) 1.801 15.860 ( -30.724 0.000 -4.299) 31.023 16.067 ( -4.831 0.000 -0.352) 4.844 16.970 ( 9.706 -0.000 5.866) 11.341 17.695 ( 4.665 -0.000 -5.288) 7.052 18.548 ( 0.714 -0.000 1.668) 1.814 18.722 ( -71.553 0.000 -0.986) 71.559 19.138 ( 1.199 -0.000 1.549) 1.959 19.478 ( -0.870 0.000 -3.635) 3.737 19.712 ( -1.393 0.000 3.522) 3.787 20.145 ( -1.520 0.000 -2.616) 3.025 20.819 ( -0.070 0.000 1.226) 1.228 20.942 ( 7.206 -0.000 -2.602) 7.662 21.293 ( -5.683 0.000 2.360) 6.153 21.407 ( 71.480 -0.000 1.685) 71.500 22.979 ( -13.352 0.000 3.819) 13.887 23.448 ( 1.051 -0.000 -4.385) 4.509 24.076 ( -0.611 0.000 3.156) 3.215 24.271 ( 0.501 -0.000 -0.551) 0.745 ======================= Grid point 82 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -3.421 0.173 24.892) 25.127 0.800 ( -0.846 -11.619 24.089) 26.758 1.393 ( 25.680 -19.413 23.260) 39.716 1.763 ( -12.964 -1.924 -12.440) 18.070 1.911 ( 2.008 -0.175 -7.855) 8.109 2.174 ( 0.735 -5.829 -0.238) 5.880 2.355 ( 1.118 -4.617 -0.806) 4.818 2.664 ( 1.567 1.981 -1.290) 2.836 2.859 ( -2.717 -0.112 4.583) 5.329 3.010 ( 0.360 7.096 0.520) 7.124 3.051 ( -1.019 -0.917 -5.007) 5.191 3.333 ( 10.429 3.944 -0.803) 11.179 3.488 ( -3.175 -1.253 2.316) 4.125 3.590 ( 6.945 -5.619 1.250) 9.021 3.795 ( -3.475 -3.056 4.614) 6.535 3.839 ( -2.953 -5.742 2.837) 7.053 4.125 ( 1.576 -1.595 -5.118) 5.588 4.189 ( -0.038 4.210 -0.185) 4.214 4.353 ( 3.114 -4.411 -1.480) 5.599 4.595 ( 6.783 -0.069 -4.074) 7.913 4.910 ( 7.093 -1.149 -1.793) 7.406 5.039 ( 1.751 -5.927 1.657) 6.399 5.603 ( -1.048 1.825 -11.406) 11.599 5.727 ( 6.042 -6.891 -13.074) 15.966 6.209 ( -7.167 3.788 -0.676) 8.135 6.311 ( -3.328 -1.444 2.768) 4.564 6.562 ( -1.221 7.016 2.870) 7.678 6.765 ( -0.752 -0.228 -4.842) 4.905 6.924 ( -13.339 4.453 7.600) 15.985 7.085 ( -0.839 3.437 1.332) 3.780 7.114 ( 1.653 3.237 6.837) 7.744 7.280 ( -5.535 1.467 7.073) 9.101 7.364 ( -0.064 1.810 4.359) 4.720 7.598 ( -2.732 4.393 -0.054) 5.174 7.881 ( -6.020 -1.895 -5.887) 8.631 8.265 ( 3.232 -0.601 -3.744) 4.983 8.325 ( 2.259 -2.366 2.626) 4.195 8.378 ( -0.484 -8.311 -3.499) 9.030 8.700 ( -7.486 2.438 2.540) 8.272 8.828 ( -5.319 -4.549 0.207) 7.002 8.863 ( 1.931 -4.635 2.348) 5.543 9.288 ( 6.733 4.485 2.133) 8.367 9.507 ( 2.817 -0.239 -0.049) 2.828 9.909 ( -0.581 -0.062 -1.548) 1.655 10.409 ( 1.390 -1.224 7.040) 7.280 10.802 ( -4.860 -1.936 -7.115) 8.831 11.549 ( -2.894 1.787 6.593) 7.418 12.217 ( 5.165 7.120 0.030) 8.796 12.399 ( 1.630 -5.572 0.686) 5.846 12.537 ( -4.621 -1.472 2.032) 5.258 13.402 ( -3.813 11.112 1.049) 11.795 13.701 ( 1.943 -4.086 -4.055) 6.076 14.013 ( 5.195 2.327 1.572) 5.906 14.143 ( -2.025 2.733 4.594) 5.716 14.234 ( -4.753 -4.812 -3.425) 7.581 14.514 ( -2.206 -1.346 -3.471) 4.327 14.749 ( 5.154 5.288 -5.229) 9.048 14.902 ( 13.800 0.973 -6.317) 15.209 15.426 ( -9.460 1.553 14.101) 17.051 15.538 ( -5.049 0.815 14.011) 14.915 15.804 ( -5.935 -9.539 -4.289) 12.026 16.095 ( -2.009 -6.667 -3.124) 7.632 17.046 ( 2.462 -3.681 2.263) 4.973 17.677 ( 2.239 4.873 -5.321) 7.554 18.198 ( -26.754 -4.138 13.786) 30.380 18.597 ( 2.264 -0.871 3.734) 4.453 19.130 ( -6.886 -1.933 3.080) 7.787 19.460 ( -0.431 -1.492 -5.243) 5.468 19.626 ( 8.722 14.561 7.264) 18.462 20.115 ( -0.390 0.849 -4.368) 4.467 20.533 ( -12.300 16.708 -0.296) 20.750 21.054 ( 1.079 -8.368 -3.635) 9.187 21.240 ( -1.374 3.487 2.330) 4.413 22.148 ( 16.603 -19.601 -9.686) 27.453 23.044 ( 11.158 0.019 -0.414) 11.166 23.519 ( 1.845 -9.786 -10.434) 14.424 24.098 ( -1.159 -1.048 3.101) 3.472 24.280 ( 1.261 -0.803 -0.707) 1.653 ======================= Grid point 83 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 2.683 -12.072 13.238) 18.116 1.075 ( -1.698 -11.208 16.069) 19.665 1.527 ( -6.823 -2.895 -11.970) 14.079 1.877 ( 6.714 4.335 -3.124) 8.581 2.046 ( 12.806 -12.298 5.237) 18.511 2.263 ( -0.334 -6.948 -0.504) 6.974 2.459 ( -0.598 -9.549 2.181) 9.813 2.641 ( 4.324 6.220 1.333) 7.692 2.848 ( -4.358 0.437 3.976) 5.915 2.993 ( 3.209 -0.260 3.450) 4.719 3.045 ( 3.511 -2.307 -4.530) 6.178 3.381 ( 4.023 2.922 -0.150) 4.975 3.487 ( 0.039 -0.813 0.688) 1.066 3.719 ( 5.200 1.048 5.381) 7.556 3.813 ( -5.782 -0.963 1.443) 6.037 3.860 ( -3.429 -3.267 6.333) 7.908 4.135 ( 2.782 1.226 -0.977) 3.194 4.252 ( 6.688 -8.835 -5.076) 12.188 4.472 ( 6.534 -8.270 -2.282) 10.784 4.680 ( 8.704 -1.677 -3.369) 9.483 4.983 ( 6.934 0.448 -2.423) 7.359 5.176 ( 2.598 -8.025 -0.063) 8.436 5.466 ( 0.767 3.174 -14.841) 15.196 5.848 ( 5.919 -5.316 -6.030) 9.983 6.059 ( -8.470 1.785 -1.324) 8.757 6.266 ( -8.735 -0.459 3.559) 9.444 6.403 ( -6.175 8.808 4.777) 11.770 6.714 ( -3.912 0.803 -4.207) 5.801 6.847 ( -4.757 0.343 0.966) 4.866 7.006 ( -1.273 4.493 -4.044) 6.177 7.140 ( -2.019 4.528 8.659) 9.978 7.175 ( -0.286 11.585 7.926) 14.040 7.382 ( 1.526 1.359 2.276) 3.058 7.512 ( 1.730 2.968 0.570) 3.483 7.847 ( -5.776 -5.946 -5.112) 9.739 8.253 ( -0.304 1.767 -4.033) 4.414 8.412 ( 3.265 -3.516 -3.428) 5.896 8.441 ( 1.221 -4.883 2.493) 5.617 8.588 ( -7.403 0.965 1.546) 7.624 8.903 ( 1.391 -7.034 0.880) 7.224 8.968 ( 2.455 -4.059 0.925) 4.833 9.331 ( 3.487 2.238 6.286) 7.528 9.541 ( 5.783 1.358 -3.872) 7.091 9.889 ( -1.840 -0.958 -1.884) 2.802 10.479 ( 0.179 -0.789 6.971) 7.017 10.705 ( -4.824 -0.128 -6.286) 7.925 11.599 ( 7.855 2.310 1.680) 8.359 12.183 ( 2.966 6.305 2.318) 7.343 12.483 ( 0.614 -3.547 0.438) 3.626 12.529 ( -2.948 -4.141 0.910) 5.164 13.251 ( -5.204 6.659 4.625) 9.634 13.744 ( 1.334 -2.272 -2.402) 3.566 14.043 ( 3.804 4.001 1.716) 5.781 14.110 ( 1.060 2.405 -0.204) 2.636 14.241 ( 0.303 -4.021 -4.674) 6.172 14.512 ( -1.388 -3.559 -0.300) 3.832 14.696 ( 4.236 6.627 -4.538) 9.080 14.987 ( 8.454 0.849 -4.983) 9.850 15.434 ( -5.140 -1.158 7.212) 8.932 15.585 ( -7.131 -6.089 16.008) 18.552 15.820 ( -0.804 -2.318 -0.149) 2.458 16.108 ( -2.841 -3.092 -4.134) 5.893 17.189 ( 2.273 -13.029 -4.426) 13.946 17.569 ( 0.827 7.836 -6.155) 9.998 18.128 ( -6.219 -2.034 10.931) 12.740 18.660 ( 3.116 1.171 5.898) 6.773 19.059 ( -13.259 -3.468 5.196) 14.657 19.402 ( 0.543 6.630 -5.494) 8.628 19.658 ( 4.820 1.526 4.629) 6.855 19.985 ( 0.522 13.799 -9.259) 16.625 20.248 ( -8.198 3.159 3.536) 9.471 21.107 ( 3.493 -0.083 -6.307) 7.210 21.208 ( -7.703 -4.210 4.309) 9.779 22.472 ( 8.713 -14.610 -2.922) 17.260 23.139 ( 5.627 1.073 -0.176) 5.731 23.585 ( 3.495 -4.694 -9.136) 10.850 24.093 ( -2.465 1.511 3.272) 4.367 24.315 ( 1.525 -2.314 -1.205) 3.022 ======================= Grid point 84 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 6.836 -12.769 5.847) 15.620 1.223 ( -0.953 -5.831 5.201) 7.871 1.493 ( -1.033 -3.539 -2.345) 4.369 1.911 ( 4.709 -2.607 0.080) 5.384 2.204 ( 1.278 2.039 -1.033) 2.619 2.313 ( -2.354 -4.812 -2.031) 5.729 2.504 ( -1.539 -0.434 1.878) 2.466 2.625 ( -5.483 -0.073 -3.130) 6.314 2.862 ( 5.625 2.433 8.990) 10.880 3.095 ( 3.366 -3.152 2.714) 5.351 3.150 ( 5.044 -6.508 -2.946) 8.745 3.351 ( -2.351 1.521 -0.794) 2.911 3.521 ( 2.948 -0.843 -0.642) 3.133 3.665 ( -4.120 6.761 2.685) 8.360 3.828 ( 2.402 0.264 5.359) 5.879 3.929 ( -1.705 -1.248 8.651) 8.905 4.165 ( 4.222 1.325 2.158) 4.923 4.389 ( 5.263 -7.647 -9.602) 13.355 4.754 ( 13.063 -14.587 -2.415) 19.729 4.830 ( 9.400 -5.476 2.028) 11.067 5.045 ( 7.046 2.230 -1.486) 7.539 5.274 ( -0.857 -6.282 -6.036) 8.754 5.398 ( 6.148 0.488 -8.430) 10.445 5.885 ( -3.425 0.361 -3.402) 4.841 5.966 ( -5.597 -1.510 1.836) 6.081 6.185 ( -5.473 -1.780 0.600) 5.786 6.250 ( -6.434 6.654 2.052) 9.481 6.595 ( -4.949 2.823 -6.223) 8.438 6.737 ( -6.505 3.635 -4.433) 8.670 6.899 ( -4.460 5.089 0.661) 6.799 7.013 ( 1.942 11.548 4.856) 12.677 7.167 ( 1.289 4.212 10.386) 11.281 7.430 ( 1.050 -3.359 2.356) 4.235 7.528 ( 5.151 3.152 -0.859) 6.099 7.797 ( -7.442 -2.050 -2.231) 8.035 8.202 ( 0.918 0.034 -5.008) 5.091 8.458 ( 2.187 4.786 -1.540) 5.482 8.528 ( -5.301 -9.324 0.993) 10.772 8.540 ( 1.105 -3.391 0.707) 3.635 8.993 ( -0.728 -2.632 1.071) 2.933 9.043 ( 3.251 -2.981 0.173) 4.414 9.375 ( -0.418 1.096 6.897) 6.996 9.599 ( 8.462 -0.693 -3.185) 9.068 9.863 ( -3.031 -1.484 -2.534) 4.220 10.499 ( -2.162 0.993 3.409) 4.157 10.647 ( -1.094 -0.627 -0.485) 1.351 11.670 ( 6.865 2.744 1.348) 7.515 12.161 ( 2.814 4.505 1.914) 5.646 12.525 ( -1.348 -5.190 -1.032) 5.460 12.581 ( -0.484 -4.506 1.666) 4.828 13.132 ( -6.256 6.561 7.279) 11.626 13.767 ( -0.510 -2.585 -1.279) 2.929 13.990 ( 0.424 6.957 0.312) 6.977 14.155 ( 4.830 -3.342 -2.335) 6.320 14.282 ( 2.241 -2.884 -2.669) 4.524 14.552 ( -0.848 -2.841 1.647) 3.392 14.635 ( 4.123 5.650 -4.977) 8.585 15.045 ( 4.957 -0.319 -2.202) 5.433 15.388 ( -3.646 2.830 0.649) 4.661 15.656 ( -10.208 -7.802 8.667) 15.498 15.859 ( 1.521 1.171 8.271) 8.491 16.071 ( -1.457 -0.122 -3.902) 4.167 17.342 ( 0.247 -13.435 -12.902) 18.628 17.461 ( 3.040 5.548 -3.285) 7.128 18.189 ( 4.319 0.398 6.920) 8.167 18.710 ( 4.350 4.513 6.047) 8.710 18.982 ( -18.946 -9.547 7.726) 22.578 19.175 ( -3.086 17.303 -9.410) 19.937 19.653 ( -5.665 -2.735 -3.970) 7.439 19.899 ( 17.384 10.775 1.420) 20.502 20.206 ( -8.229 -4.335 6.197) 11.176 21.090 ( 5.330 4.208 -6.478) 9.385 21.201 ( -9.766 -7.202 4.122) 12.815 22.726 ( 7.246 -10.147 -1.626) 12.574 23.171 ( 1.094 -0.182 0.163) 1.121 23.633 ( 4.560 -2.291 -5.810) 7.733 24.036 ( -3.931 3.861 3.339) 6.443 24.355 ( 1.755 -1.615 -1.583) 2.862 ======================= Grid point 85 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.104 -2.855 2.775) 3.983 1.332 ( 4.452 -4.955 2.436) 7.092 1.536 ( 0.315 -4.443 4.413) 6.270 2.020 ( -2.907 -1.724 -1.068) 3.544 2.121 ( 1.045 0.537 0.981) 1.530 2.292 ( -1.378 -0.332 -4.496) 4.714 2.484 ( -0.811 4.932 -3.680) 6.207 2.596 ( 0.800 -3.997 6.534) 7.702 2.933 ( 2.528 3.806 6.836) 8.222 3.135 ( -1.421 0.188 -2.794) 3.140 3.247 ( 2.611 -4.136 -2.967) 5.721 3.323 ( -1.714 -2.094 0.266) 2.719 3.531 ( -0.932 1.960 1.086) 2.427 3.608 ( 2.194 1.610 2.872) 3.957 3.845 ( 0.619 4.944 2.937) 5.784 3.922 ( -5.757 0.357 4.760) 7.478 4.197 ( 2.775 4.439 2.819) 5.945 4.503 ( 6.758 -6.739 -9.074) 13.169 4.947 ( 0.961 1.748 3.191) 3.763 5.085 ( 2.993 -4.987 2.452) 6.312 5.131 ( 10.592 -6.825 0.851) 12.629 5.291 ( 5.852 -1.696 -8.499) 10.457 5.481 ( 6.108 -4.616 -2.465) 8.043 5.771 ( -9.148 -2.084 -4.517) 10.413 5.927 ( -4.434 0.101 4.288) 6.169 6.080 ( -7.553 5.628 2.219) 9.677 6.205 ( 2.797 -1.598 -1.930) 3.756 6.490 ( -0.735 0.062 -7.216) 7.254 6.572 ( -3.472 3.370 -10.116) 11.214 6.785 ( -5.283 2.635 1.705) 6.145 6.982 ( 4.713 7.239 9.142) 12.578 7.208 ( -0.418 -0.220 9.286) 9.298 7.466 ( -0.475 1.770 0.250) 1.850 7.556 ( 2.757 -0.938 -1.332) 3.202 7.716 ( -3.516 -0.148 -0.194) 3.525 8.224 ( 2.879 -3.097 -4.703) 6.324 8.367 ( -1.714 5.161 -1.779) 5.721 8.590 ( 0.239 -1.566 1.527) 2.201 8.618 ( -2.714 -9.189 -0.572) 9.599 8.981 ( -1.687 1.217 -0.286) 2.099 9.116 ( 1.293 -1.943 1.460) 2.753 9.381 ( -1.187 1.810 5.783) 6.174 9.708 ( 6.511 -1.862 -1.368) 6.909 9.820 ( -3.226 -0.985 -2.882) 4.437 10.467 ( -1.298 1.891 1.386) 2.680 10.667 ( -0.182 -1.236 3.565) 3.778 11.722 ( 4.013 0.954 2.668) 4.913 12.154 ( 1.723 2.443 1.064) 3.173 12.573 ( 1.943 -2.045 -1.857) 3.378 12.647 ( -4.133 -8.329 1.674) 9.448 13.008 ( -6.196 7.407 8.963) 13.175 13.785 ( -1.321 -1.925 -0.020) 2.335 13.924 ( 0.801 2.493 -1.138) 2.855 14.235 ( 0.640 -3.850 -2.622) 4.701 14.349 ( 5.092 -1.816 1.127) 5.522 14.543 ( 0.031 3.440 -0.690) 3.509 14.622 ( 2.074 -1.331 -3.468) 4.254 15.089 ( 0.765 -0.968 1.344) 1.824 15.286 ( -0.901 5.256 -6.492) 8.401 15.651 ( -8.694 -5.002 2.945) 10.453 15.893 ( -1.877 3.438 11.906) 12.533 16.055 ( 3.433 0.770 -2.871) 4.541 17.367 ( 3.740 0.689 -7.011) 7.976 17.488 ( 2.459 -6.465 -8.629) 11.059 18.286 ( 6.655 0.287 2.376) 7.072 18.620 ( -18.790 2.000 -11.172) 21.951 18.824 ( 11.617 18.119 2.526) 21.671 19.065 ( -5.315 -7.598 9.345) 13.165 19.626 ( -2.466 -4.240 -3.891) 6.261 20.012 ( 13.338 5.827 3.637) 15.002 20.194 ( -11.376 -5.041 8.527) 15.085 21.067 ( 6.534 4.751 -5.521) 9.785 21.205 ( -7.717 -6.551 3.895) 10.846 22.871 ( 3.322 -2.656 -2.594) 4.982 23.195 ( -0.169 -2.101 1.920) 2.851 23.693 ( 4.704 -2.715 -4.673) 7.165 23.946 ( -4.864 3.861 3.483) 7.120 24.376 ( 2.188 0.505 -1.977) 2.992 ======================= Grid point 86 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -4.474 6.750 3.226) 8.717 1.405 ( -1.330 0.740 4.620) 4.864 1.625 ( 1.064 -0.642 4.998) 5.150 1.920 ( -3.929 -1.790 -1.536) 4.583 2.188 ( -2.613 -4.006 -3.236) 5.774 2.309 ( 6.011 0.135 1.413) 6.176 2.418 ( 3.078 3.344 -1.937) 4.941 2.718 ( 4.584 -2.023 6.077) 7.876 2.889 ( -3.770 7.885 5.223) 10.182 3.066 ( -1.418 2.197 -4.624) 5.313 3.285 ( 0.288 -1.542 -3.011) 3.395 3.321 ( -3.725 -0.867 -0.434) 3.849 3.556 ( 3.334 -2.786 3.871) 5.819 3.634 ( 1.728 0.676 -0.052) 1.857 3.759 ( -2.283 6.677 -0.025) 7.057 3.830 ( -10.360 3.731 5.251) 12.199 4.156 ( 0.930 4.899 0.252) 4.993 4.608 ( 5.829 -3.555 -6.591) 9.490 4.867 ( -3.746 7.625 3.357) 9.135 5.028 ( -5.882 6.975 -2.131) 9.370 5.212 ( -10.886 -1.491 3.655) 11.580 5.413 ( 11.701 1.303 -2.883) 12.121 5.630 ( 4.615 -4.624 1.996) 6.830 5.672 ( -6.523 -4.049 -5.815) 9.631 5.961 ( 2.353 -4.073 4.765) 6.696 6.032 ( 3.308 -2.675 -0.073) 4.255 6.229 ( 2.023 1.043 -1.714) 2.849 6.465 ( 7.002 2.318 -7.573) 10.571 6.502 ( -2.324 -7.762 -10.657) 13.387 6.744 ( -3.231 -4.177 1.489) 5.487 7.030 ( 6.104 5.053 9.295) 12.214 7.267 ( -1.753 -0.977 10.413) 10.605 7.387 ( -1.475 4.809 -3.262) 5.995 7.572 ( -5.159 -4.700 -0.110) 6.980 7.758 ( 6.249 -1.463 0.933) 6.485 8.273 ( 3.484 -2.665 -6.180) 7.579 8.285 ( -0.644 2.792 -1.324) 3.157 8.597 ( -0.847 0.707 0.285) 1.140 8.686 ( -4.972 -7.155 3.304) 9.318 8.936 ( -1.471 0.500 -3.021) 3.397 9.128 ( -1.181 2.362 2.352) 3.537 9.368 ( -1.682 3.085 4.957) 6.076 9.742 ( -3.926 -2.360 0.165) 4.583 9.817 ( 4.378 0.042 -2.994) 5.304 10.436 ( -0.441 2.580 1.098) 2.839 10.714 ( 0.500 -2.094 4.318) 4.825 11.793 ( 2.439 -2.986 3.914) 5.494 12.148 ( -1.474 0.018 1.675) 2.231 12.588 ( 0.777 1.186 -1.286) 1.914 12.688 ( -7.928 -5.726 2.233) 10.031 12.933 ( -1.764 2.324 8.385) 8.878 13.778 ( -0.621 0.560 -0.084) 0.841 13.937 ( 0.731 -2.609 -0.489) 2.753 14.230 ( -3.838 -2.004 -3.658) 5.668 14.439 ( 4.089 3.404 4.288) 6.833 14.515 ( 0.304 -2.536 0.161) 2.559 14.642 ( 1.264 -2.151 -5.091) 5.670 15.102 ( -3.235 -0.107 5.211) 6.134 15.159 ( 2.493 5.452 -13.644) 14.903 15.618 ( -5.996 -1.290 3.043) 6.846 15.890 ( -2.264 1.863 9.731) 10.163 16.090 ( 6.831 2.599 -0.764) 7.349 17.336 ( 2.340 5.052 -7.796) 9.580 17.575 ( 9.071 -3.603 -5.021) 10.976 18.184 ( -15.339 9.148 -8.961) 19.982 18.427 ( 4.905 -4.709 -4.019) 7.899 18.828 ( 9.349 7.607 3.142) 12.456 19.191 ( 0.057 -6.887 5.919) 9.081 19.650 ( -0.265 -4.914 -2.341) 5.450 20.108 ( 8.108 3.264 3.259) 9.329 20.158 ( -12.430 -4.221 10.345) 16.713 21.059 ( 7.147 4.893 -4.621) 9.817 21.230 ( -5.040 -5.532 3.874) 8.427 22.850 ( -1.585 4.112 -3.210) 5.452 23.225 ( -1.122 -0.334 2.702) 2.945 23.759 ( 4.111 -3.095 -5.556) 7.573 23.885 ( -3.632 -0.218 4.630) 5.889 24.371 ( 2.642 2.833 -2.333) 4.523 ======================= Grid point 87 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -6.720 14.229 2.929) 16.006 1.267 ( -9.294 14.183 6.416) 18.131 1.727 ( 8.561 -1.820 5.461) 10.316 1.934 ( -6.214 -5.303 0.790) 8.207 2.187 ( -1.332 -4.650 -4.314) 6.481 2.343 ( 0.761 4.156 1.329) 4.429 2.441 ( 4.998 4.882 2.740) 7.505 2.645 ( -11.250 9.698 -0.867) 14.878 2.841 ( 5.794 4.730 5.301) 9.168 2.999 ( -3.290 0.323 -1.807) 3.767 3.227 ( -6.782 -0.020 0.409) 6.794 3.317 ( 2.077 -2.071 -3.163) 4.314 3.592 ( -7.160 5.041 -2.248) 9.040 3.632 ( 2.377 2.159 -2.226) 3.907 3.696 ( 2.562 -0.256 2.897) 3.876 3.715 ( -1.333 0.928 7.697) 7.867 4.127 ( 0.086 0.482 -0.204) 0.530 4.621 ( -0.697 3.410 -3.800) 5.153 4.721 ( -5.855 8.584 4.286) 11.240 4.822 ( -5.968 8.605 -3.411) 11.014 5.068 ( -10.485 0.288 0.844) 10.523 5.344 ( -9.900 6.089 -2.093) 11.810 5.625 ( 4.004 -0.128 -8.605) 9.492 5.803 ( 8.393 -2.226 4.392) 9.731 6.111 ( 4.963 -5.382 4.845) 8.779 6.135 ( 0.711 -6.346 -2.794) 6.971 6.242 ( 2.842 -1.799 -2.523) 4.205 6.530 ( 4.887 -4.636 -4.651) 8.185 6.579 ( 9.631 -6.657 -6.246) 13.269 6.825 ( -1.286 -9.820 0.593) 9.922 7.099 ( 5.886 4.265 7.483) 10.432 7.269 ( 0.570 5.600 3.069) 6.411 7.340 ( -4.557 -3.433 3.867) 6.892 7.557 ( -5.587 -3.422 0.880) 6.611 7.880 ( 7.785 -2.307 0.675) 8.148 8.255 ( -1.218 -3.293 -6.179) 7.107 8.309 ( 4.742 2.289 -1.111) 5.382 8.562 ( -1.731 1.409 -0.606) 2.313 8.731 ( -6.070 -5.265 8.512) 11.705 8.901 ( -0.430 -1.487 -6.726) 6.902 9.056 ( -1.891 7.079 2.293) 7.678 9.293 ( -5.012 6.325 3.856) 8.944 9.750 ( -3.990 -5.814 2.050) 7.343 9.843 ( 3.766 0.817 -3.157) 4.982 10.395 ( -0.903 3.297 0.866) 3.526 10.788 ( 2.484 -2.559 3.224) 4.807 11.912 ( 2.196 -7.000 3.296) 8.043 12.143 ( -7.417 -4.959 5.704) 10.590 12.538 ( -0.944 4.919 -1.038) 5.115 12.653 ( -9.479 -4.167 5.708) 11.823 12.995 ( 1.698 -3.031 5.735) 6.705 13.762 ( -0.974 0.090 -0.764) 1.241 13.978 ( 0.882 -1.449 1.048) 1.994 14.160 ( -5.809 -0.653 -4.130) 7.158 14.425 ( 0.801 4.129 3.249) 5.314 14.595 ( 0.681 -3.917 2.064) 4.479 14.648 ( 1.186 -2.122 -6.867) 7.284 14.995 ( 1.820 8.080 -13.208) 15.590 15.135 ( -1.906 -2.936 4.894) 6.017 15.573 ( -5.369 1.309 5.689) 7.931 15.925 ( -0.466 -1.921 7.175) 7.442 16.140 ( 9.730 5.827 1.540) 11.445 17.169 ( -0.808 11.991 -12.497) 17.339 17.728 ( 11.719 0.089 -9.023) 14.791 17.913 ( -4.544 2.756 5.301) 7.507 18.540 ( 2.496 -5.044 -0.845) 5.691 18.882 ( 5.675 0.345 1.862) 5.983 19.285 ( -1.915 -6.720 -0.847) 7.038 19.693 ( 1.810 -0.185 -2.512) 3.101 20.161 ( -4.115 -5.553 6.120) 9.232 20.175 ( 1.583 -0.093 8.002) 8.158 21.056 ( 7.190 4.941 -4.839) 9.976 21.262 ( -3.776 -3.882 3.527) 6.463 22.687 ( -4.998 11.393 -3.488) 12.921 23.206 ( -3.556 -0.213 1.281) 3.785 23.800 ( 3.907 -1.248 -6.089) 7.342 23.926 ( -1.235 -4.910 5.303) 7.332 24.342 ( 2.964 4.557 -2.642) 6.044 ======================= Grid point 88 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -8.229 16.688 6.689) 19.773 0.928 ( -14.520 18.162 2.878) 23.430 1.757 ( -25.792 13.714 7.975) 30.280 1.895 ( 8.671 -0.234 3.609) 9.395 2.142 ( -5.280 11.807 2.469) 13.168 2.208 ( 1.794 0.330 -4.139) 4.524 2.371 ( 2.522 5.427 0.733) 6.029 2.619 ( 3.151 -5.697 1.051) 6.595 2.801 ( 0.209 7.489 1.011) 7.560 2.973 ( -4.785 -5.457 0.244) 7.262 3.182 ( -4.262 -1.848 0.266) 4.653 3.342 ( -2.822 -1.803 -1.764) 3.786 3.489 ( 1.890 0.427 -3.027) 3.594 3.635 ( -4.420 1.495 7.127) 8.518 3.655 ( 5.081 4.804 1.388) 7.129 3.804 ( 5.110 2.722 -0.637) 5.824 4.138 ( -2.675 -4.314 0.938) 5.163 4.455 ( -6.033 9.970 0.809) 11.681 4.556 ( -5.540 6.214 -1.129) 8.401 4.656 ( -3.420 5.354 -3.944) 7.478 4.972 ( -6.969 -0.235 -0.339) 6.981 5.104 ( -9.127 5.697 -4.138) 11.527 5.609 ( 7.835 4.793 -10.511) 13.959 5.962 ( 8.171 -1.715 5.240) 9.858 6.148 ( -4.439 -5.016 -8.598) 10.899 6.254 ( 1.568 -5.589 3.307) 6.681 6.325 ( 5.798 -2.902 0.053) 6.484 6.675 ( 6.536 -6.482 2.337) 9.497 6.761 ( 9.555 -5.800 -5.751) 12.570 6.944 ( -2.214 -9.633 2.863) 10.290 7.149 ( 3.195 1.360 3.394) 4.856 7.249 ( 1.520 2.164 2.902) 3.926 7.342 ( -5.496 -1.878 6.645) 8.825 7.558 ( -1.106 -2.512 1.766) 3.264 8.006 ( 7.157 -2.266 -1.506) 7.657 8.239 ( -1.639 -2.754 -7.915) 8.539 8.318 ( -0.017 2.432 5.166) 5.709 8.527 ( -0.570 -0.053 -2.108) 2.184 8.783 ( -2.281 -3.124 6.336) 7.424 8.885 ( -0.762 -2.828 -4.518) 5.385 8.944 ( 0.571 9.935 2.004) 10.151 9.140 ( -7.541 7.366 3.991) 11.271 9.799 ( -5.580 -7.953 1.071) 9.774 9.866 ( 3.796 -0.149 -2.683) 4.651 10.344 ( -1.126 3.146 1.374) 3.613 10.868 ( 3.728 -1.229 0.311) 3.938 12.042 ( 3.634 -5.640 -3.849) 7.735 12.207 ( -15.045 -19.118 13.549) 27.847 12.450 ( -2.354 4.245 1.104) 4.978 12.637 ( -10.926 -7.550 3.896) 13.840 13.096 ( 1.914 -2.199 9.557) 9.992 13.740 ( -1.781 -0.010 -0.318) 1.810 14.008 ( -0.612 0.210 2.431) 2.516 14.077 ( -1.976 0.116 -2.172) 2.939 14.397 ( 1.917 6.181 3.429) 7.323 14.611 ( -0.856 -1.647 -9.441) 9.622 14.653 ( -0.656 -1.587 -2.615) 3.128 14.837 ( 2.383 6.502 -11.679) 13.577 15.217 ( -0.674 -5.036 9.957) 11.178 15.528 ( -6.388 0.452 8.609) 10.730 15.997 ( 0.080 -3.987 0.950) 4.099 16.223 ( 14.081 8.032 11.223) 19.717 16.881 ( -3.574 12.824 -15.261) 20.251 17.684 ( 2.740 1.565 -10.965) 11.410 18.139 ( 17.979 -1.846 22.854) 29.137 18.580 ( -1.942 -1.275 -0.091) 2.325 18.991 ( 7.184 -2.155 1.516) 7.652 19.324 ( -9.836 -12.807 -3.651) 16.556 19.645 ( -1.802 4.058 -2.401) 5.048 20.186 ( 1.596 1.822 0.507) 2.475 20.349 ( 3.862 -11.043 8.540) 14.484 21.038 ( 5.756 5.335 -7.042) 10.544 21.280 ( -2.058 -1.439 3.247) 4.104 22.374 ( -5.787 21.180 -7.779) 23.294 23.178 ( -6.718 -4.768 0.543) 8.256 23.809 ( 4.919 1.707 -10.570) 11.783 24.020 ( -0.010 -4.237 6.374) 7.654 24.297 ( 2.636 4.725 -2.936) 6.156 ======================= Grid point 89 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -18.161 18.166 -0.749) 25.698 0.537 ( -7.461 14.708 17.263) 23.874 1.176 ( -32.484 24.252 28.261) 49.417 1.962 ( 0.002 -1.644 -3.235) 3.628 2.055 ( 2.128 4.122 1.035) 4.753 2.155 ( -0.438 4.872 -3.522) 6.028 2.348 ( 1.323 3.910 -0.588) 4.170 2.693 ( 0.788 0.397 0.488) 1.008 2.794 ( 6.738 -0.097 0.941) 6.804 3.036 ( -3.529 -11.287 0.310) 11.830 3.133 ( -4.909 -0.884 -3.049) 5.846 3.284 ( -5.695 -0.660 -1.621) 5.958 3.507 ( 0.324 1.782 -0.883) 2.015 3.567 ( -5.687 3.751 5.789) 8.941 3.711 ( 6.063 1.275 2.945) 6.860 3.776 ( 5.423 7.842 1.920) 9.726 4.171 ( -4.767 -5.879 -0.918) 7.624 4.303 ( -0.589 6.423 -1.909) 6.727 4.402 ( -6.484 2.768 -4.861) 8.563 4.538 ( -0.677 4.132 -2.189) 4.725 4.861 ( -6.181 2.083 0.035) 6.523 4.989 ( 0.625 2.636 -1.140) 2.939 5.571 ( 8.557 6.756 -10.288) 14.990 6.025 ( -6.799 -2.614 -13.277) 15.144 6.145 ( 6.336 -1.239 5.646) 8.576 6.337 ( -1.131 -3.272 2.716) 4.400 6.427 ( 6.288 -1.110 -0.862) 6.443 6.794 ( 4.555 -0.047 -5.288) 6.980 6.928 ( 4.639 -6.803 5.060) 9.665 7.075 ( 0.137 -9.531 1.977) 9.735 7.192 ( -0.791 -3.380 0.036) 3.472 7.282 ( 0.301 -2.245 8.164) 8.472 7.364 ( -4.473 -4.703 7.237) 9.722 7.609 ( 3.873 -0.277 0.121) 3.884 8.080 ( 1.273 -2.925 -3.709) 4.892 8.196 ( 0.833 0.697 -5.878) 5.978 8.316 ( -5.119 -2.459 5.116) 7.644 8.514 ( -0.384 0.085 -5.985) 5.998 8.781 ( 1.595 9.354 -5.509) 10.972 8.875 ( -3.326 -0.859 7.727) 8.456 8.901 ( 6.775 2.445 3.680) 8.089 9.022 ( -3.453 1.691 5.240) 6.500 9.805 ( -12.019 -9.195 -4.866) 15.896 9.900 ( 2.616 -0.421 -1.825) 3.218 10.315 ( -0.069 1.686 3.063) 3.497 10.900 ( 2.397 1.643 -2.863) 4.079 12.122 ( 2.338 -6.152 -4.630) 8.046 12.331 ( -11.185 -11.430 -1.977) 16.114 12.382 ( -27.305 -17.028 -4.935) 32.555 12.587 ( -7.733 -1.748 -0.948) 7.984 13.313 ( 2.607 -17.125 20.508) 26.844 13.720 ( -1.199 0.588 1.048) 1.698 13.968 ( -2.608 0.091 -0.728) 2.709 14.133 ( 3.255 -1.736 7.808) 8.635 14.361 ( 12.535 14.393 2.839) 19.296 14.504 ( -4.797 0.743 -7.812) 9.197 14.631 ( -1.631 -0.974 -4.869) 5.227 14.768 ( 4.322 1.870 -8.577) 9.785 15.374 ( 0.266 -8.706 12.272) 15.049 15.521 ( -8.380 -5.563 10.466) 14.516 16.017 ( 0.461 -1.055 -5.473) 5.593 16.391 ( 1.643 7.669 0.675) 7.872 16.660 ( 8.685 1.930 5.840) 10.642 17.667 ( 4.428 -0.048 -7.140) 8.402 18.553 ( -2.352 0.013 0.376) 2.381 18.742 ( 37.517 -15.836 41.065) 57.833 19.102 ( 7.204 1.082 1.952) 7.542 19.313 ( -29.275 -24.866 -4.901) 38.722 19.548 ( -2.742 3.173 -2.228) 4.749 20.171 ( 0.603 1.770 -1.044) 2.141 20.611 ( 5.871 -11.809 3.785) 13.720 20.946 ( 2.172 8.134 -12.231) 14.849 21.292 ( 5.722 6.138 2.508) 8.758 21.833 ( -4.506 43.572 -18.474) 47.541 23.156 ( -14.760 -10.407 -1.446) 18.117 23.681 ( 2.232 14.503 -19.601) 24.486 24.079 ( 0.038 1.135 3.469) 3.650 24.265 ( 0.939 0.615 -1.189) 1.635 ======================= Grid point 91 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -12.240 0.000 33.391) 35.564 0.972 ( 10.027 -0.000 17.569) 20.228 1.488 ( -9.281 0.000 -14.169) 16.938 1.778 ( 21.586 -0.000 11.023) 24.237 1.999 ( 20.430 -0.000 1.813) 20.511 2.138 ( -0.924 0.000 -0.230) 0.952 2.333 ( 1.444 -0.000 -2.519) 2.903 2.735 ( 6.243 -0.000 1.887) 6.522 2.851 ( -3.345 0.000 6.174) 7.022 2.989 ( -4.088 0.000 -5.000) 6.458 3.066 ( 4.115 -0.000 -1.181) 4.281 3.434 ( 1.591 -0.000 -2.509) 2.971 3.605 ( 5.133 -0.000 1.737) 5.418 3.611 ( 13.057 -0.000 1.406) 13.132 3.752 ( -2.873 0.000 3.967) 4.898 3.783 ( -1.310 0.000 4.795) 4.971 4.073 ( 0.877 -0.000 -5.255) 5.328 4.287 ( 2.830 -0.000 2.566) 3.821 4.332 ( 1.106 -0.000 -0.121) 1.112 4.634 ( 5.152 -0.000 -4.294) 6.707 5.013 ( 2.571 -0.000 0.274) 2.586 5.015 ( 11.194 -0.000 -3.592) 11.756 5.528 ( 0.249 -0.000 -21.792) 21.793 5.720 ( 8.120 -0.000 0.227) 8.124 6.108 ( -11.354 0.000 -0.971) 11.395 6.254 ( -6.656 0.000 2.365) 7.064 6.571 ( -10.166 0.000 5.738) 11.674 6.714 ( -1.621 0.000 -7.254) 7.433 6.834 ( -7.070 0.000 7.198) 10.090 7.058 ( -3.482 0.000 -2.686) 4.398 7.248 ( 5.636 -0.000 8.067) 9.841 7.314 ( -0.885 0.000 6.332) 6.394 7.363 ( -4.092 0.000 5.229) 6.640 7.634 ( 1.939 -0.000 0.742) 2.077 7.774 ( -4.193 0.000 -6.901) 8.075 8.172 ( -5.283 0.000 -0.438) 5.301 8.364 ( 6.022 -0.000 -4.683) 7.629 8.370 ( -0.993 0.000 4.342) 4.454 8.693 ( -0.346 0.000 -4.639) 4.652 8.743 ( 1.199 -0.000 2.168) 2.477 8.884 ( 2.957 -0.000 3.974) 4.953 9.376 ( -0.034 0.000 8.343) 8.343 9.593 ( 12.119 -0.000 -10.762) 16.207 9.879 ( -2.301 0.000 -2.005) 3.052 10.471 ( 1.709 -0.000 8.388) 8.560 10.681 ( -5.520 0.000 -6.111) 8.235 11.634 ( 8.319 -0.000 1.748) 8.501 12.300 ( -5.359 0.000 4.190) 6.803 12.408 ( 2.283 -0.000 3.071) 3.827 12.478 ( 1.421 -0.000 -1.059) 1.772 13.373 ( -7.523 0.000 -5.569) 9.360 13.717 ( 6.880 -0.000 -1.890) 7.135 14.106 ( -5.558 0.000 -2.662) 6.163 14.135 ( 6.050 -0.000 2.168) 6.427 14.191 ( 2.496 -0.000 4.874) 5.476 14.445 ( -3.434 0.000 -3.433) 4.855 14.818 ( 4.958 -0.000 -4.417) 6.640 15.030 ( 10.981 -0.000 -9.188) 14.317 15.383 ( -12.547 0.000 13.221) 18.227 15.449 ( -7.157 0.000 7.149) 10.115 15.793 ( 4.625 -0.000 6.367) 7.869 16.049 ( 1.114 -0.000 -2.198) 2.464 16.944 ( -9.751 0.000 3.314) 10.298 17.721 ( 2.330 -0.000 -6.370) 6.782 18.058 ( -7.966 0.000 16.961) 18.738 18.676 ( 4.346 -0.000 7.627) 8.778 19.011 ( -12.473 0.000 2.920) 12.810 19.393 ( -0.792 0.000 -7.373) 7.416 19.802 ( -0.044 0.000 4.410) 4.410 20.086 ( -1.599 0.000 -4.074) 4.376 20.519 ( -10.606 0.000 -0.956) 10.649 20.851 ( -3.272 0.000 -3.883) 5.078 21.468 ( 11.693 -0.000 -2.737) 12.010 22.075 ( 5.932 -0.000 0.213) 5.936 23.227 ( 15.283 -0.000 -8.031) 17.265 23.421 ( 0.688 -0.000 -2.743) 2.828 24.099 ( -1.047 0.000 3.147) 3.316 24.290 ( 1.491 -0.000 -0.249) 1.511 ======================= Grid point 92 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 2.734 -8.110 23.015) 24.555 1.169 ( 11.167 0.819 6.806) 13.103 1.414 ( 4.204 -1.439 -3.384) 5.585 1.920 ( 5.997 0.248 -7.563) 9.655 2.122 ( -0.944 -3.019 0.943) 3.301 2.322 ( 6.890 1.540 -2.961) 7.656 2.426 ( 14.678 -2.369 10.693) 18.313 2.765 ( -0.116 7.500 0.780) 7.541 2.869 ( 3.327 -1.409 5.133) 6.277 2.960 ( -0.529 -5.695 0.477) 5.739 3.122 ( 7.464 1.841 -0.798) 7.728 3.420 ( 0.942 2.588 -2.968) 4.049 3.563 ( 0.735 4.504 0.798) 4.633 3.761 ( -1.409 -0.644 2.707) 3.119 3.797 ( 2.922 -1.694 4.031) 5.259 3.910 ( 11.180 -1.017 9.822) 14.917 4.110 ( 5.227 -4.933 -6.346) 9.587 4.301 ( 5.115 1.560 1.572) 5.574 4.412 ( 2.024 -7.967 -0.420) 8.231 4.710 ( 4.843 -3.839 0.087) 6.180 5.066 ( 8.147 0.047 -3.143) 8.733 5.139 ( 8.413 -2.326 -6.105) 10.652 5.408 ( 1.096 -0.348 -17.250) 17.288 5.837 ( 4.861 -2.992 -2.136) 6.094 5.957 ( -8.664 0.916 0.556) 8.730 6.163 ( -10.197 -0.017 2.900) 10.602 6.430 ( -8.831 5.463 4.060) 11.150 6.635 ( -4.857 -0.027 -6.839) 8.389 6.808 ( -4.067 1.267 3.380) 5.438 6.992 ( -3.314 0.471 -2.489) 4.171 7.206 ( -4.739 9.114 5.601) 11.700 7.339 ( 3.183 1.009 6.872) 7.640 7.456 ( 1.570 -3.059 5.348) 6.358 7.597 ( 1.778 7.436 -1.774) 7.849 7.708 ( -0.960 -1.465 -4.807) 5.116 8.179 ( -3.556 -6.667 0.920) 7.612 8.310 ( -4.546 0.660 -1.707) 4.900 8.426 ( -0.406 -4.328 -1.531) 4.608 8.655 ( 7.021 6.908 -2.992) 10.294 8.848 ( 3.542 -6.285 0.554) 7.235 8.964 ( 2.482 -2.863 2.745) 4.679 9.417 ( 0.124 1.293 7.963) 8.068 9.654 ( 11.502 3.170 -9.218) 15.077 9.834 ( -2.975 -0.594 -2.653) 4.031 10.530 ( -0.068 1.412 6.194) 6.353 10.605 ( -2.552 -2.398 -3.249) 4.777 11.741 ( 8.528 1.937 0.601) 8.766 12.239 ( -5.277 1.708 4.236) 6.979 12.362 ( -9.268 -4.145 1.686) 10.292 12.594 ( 10.886 1.487 1.214) 11.054 13.244 ( -6.076 1.886 -1.664) 6.576 13.774 ( 4.760 2.901 -1.038) 5.671 14.049 ( -2.647 -4.375 -4.344) 6.710 14.194 ( 1.573 4.056 3.043) 5.309 14.226 ( 4.288 2.409 0.079) 4.919 14.430 ( -1.593 -5.581 -0.651) 5.840 14.810 ( 4.210 5.603 -3.679) 7.915 15.068 ( 6.963 1.719 -8.435) 11.072 15.393 ( -5.429 -4.625 10.976) 13.089 15.425 ( -8.407 -4.075 5.744) 10.967 15.879 ( 3.143 0.377 7.481) 8.123 16.057 ( 0.423 -0.913 -2.436) 2.636 16.918 ( -8.983 -12.363 -0.507) 15.290 17.645 ( 0.100 5.915 -7.457) 9.518 18.137 ( 0.387 -3.079 13.382) 13.737 18.767 ( -5.675 -2.229 12.006) 13.466 18.862 ( -7.150 2.342 0.610) 7.549 19.354 ( -1.143 -2.960 -8.611) 9.177 19.716 ( -8.572 7.097 2.326) 11.369 20.038 ( -2.793 -1.440 -3.500) 4.703 20.368 ( 6.564 13.843 0.944) 15.349 20.893 ( -3.065 -11.083 -3.301) 11.963 21.438 ( 9.764 16.358 -2.751) 19.249 22.308 ( 4.752 -18.473 1.036) 19.102 23.259 ( 5.611 6.448 -3.373) 9.189 23.500 ( 3.146 -7.846 -4.761) 9.702 24.092 ( -2.585 0.875 2.845) 3.943 24.318 ( 2.213 -0.845 -0.020) 2.369 ======================= Grid point 93 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 9.390 -7.886 12.144) 17.258 1.361 ( 16.929 3.060 5.115) 17.948 1.487 ( 5.189 0.233 -0.990) 5.288 1.918 ( 1.948 -0.849 -1.906) 2.855 2.178 ( 0.288 -4.909 -3.539) 6.058 2.298 ( -0.828 4.053 -4.358) 6.009 2.572 ( 6.158 4.470 7.673) 10.806 2.675 ( 4.430 7.825 -0.798) 9.027 2.980 ( 3.862 -1.981 4.882) 6.532 3.081 ( 2.275 -5.568 1.987) 6.335 3.184 ( 6.649 1.801 -0.587) 6.914 3.351 ( -1.161 4.320 -1.256) 4.646 3.554 ( 1.786 0.292 -0.907) 2.024 3.727 ( 1.777 5.545 0.864) 5.887 3.854 ( -1.412 -0.788 7.146) 7.327 4.051 ( 3.468 5.471 7.615) 9.998 4.261 ( 10.805 -4.282 2.248) 11.838 4.351 ( 5.392 0.257 -4.863) 7.266 4.645 ( 5.810 -17.893 -1.324) 18.859 4.851 ( 2.730 -6.605 6.795) 9.861 5.160 ( 11.399 1.101 -6.379) 13.109 5.223 ( 9.462 -2.188 -9.483) 13.573 5.372 ( 1.614 -3.618 -6.778) 7.851 5.781 ( -8.225 1.003 -4.312) 9.341 5.962 ( 0.898 0.646 3.570) 3.738 6.069 ( -6.056 -3.444 -0.437) 6.981 6.274 ( -6.698 6.165 2.283) 9.385 6.510 ( -6.609 1.080 -7.402) 9.982 6.709 ( -4.452 5.249 -1.811) 7.117 6.924 ( -3.641 3.887 1.448) 5.519 7.101 ( -2.264 3.211 3.472) 5.243 7.365 ( -0.190 9.717 11.569) 15.109 7.436 ( 2.089 2.371 -2.723) 4.171 7.603 ( -0.494 -3.136 -0.346) 3.194 7.708 ( 2.722 0.449 -0.941) 2.915 8.153 ( -4.790 0.144 -0.664) 4.838 8.341 ( -1.535 -10.237 -1.336) 10.437 8.436 ( -2.823 -2.298 -2.131) 4.218 8.641 ( 7.189 6.310 -3.073) 10.046 8.957 ( 0.843 -3.661 1.906) 4.212 9.043 ( 2.664 -2.816 0.648) 3.930 9.442 ( 0.386 2.158 6.454) 6.816 9.709 ( 10.685 2.138 -5.575) 12.240 9.791 ( -2.911 -0.898 -2.871) 4.186 10.510 ( -0.729 1.180 0.382) 1.439 10.636 ( 0.231 -1.269 4.091) 4.289 11.785 ( 2.852 3.296 1.994) 4.793 12.173 ( -6.863 0.017 2.707) 7.378 12.368 ( -3.778 -8.602 0.538) 9.411 12.685 ( 9.162 5.162 1.746) 10.660 13.152 ( -5.299 2.554 2.844) 6.534 13.750 ( -0.382 2.048 -1.237) 2.423 14.086 ( 0.296 0.095 -4.337) 4.348 14.113 ( -0.096 1.918 0.957) 2.146 14.288 ( 4.150 -1.985 0.287) 4.609 14.496 ( -0.416 -4.493 0.575) 4.549 14.750 ( 3.594 7.215 -3.044) 8.616 15.078 ( 3.357 0.162 -5.231) 6.218 15.380 ( -4.774 1.045 2.844) 5.655 15.455 ( -6.640 -7.029 4.269) 10.569 15.959 ( -0.272 0.786 11.952) 11.981 16.055 ( 1.713 -0.471 -2.104) 2.753 17.020 ( -4.486 -18.889 -7.132) 20.683 17.517 ( -0.744 4.872 -7.236) 8.755 18.269 ( 3.279 -2.291 7.748) 8.720 18.590 ( -24.556 -3.471 -2.017) 24.882 18.931 ( 7.964 2.261 12.892) 15.321 19.305 ( 1.855 5.872 -6.593) 9.022 19.519 ( -7.977 2.877 -1.206) 8.565 20.013 ( -5.485 -4.066 -0.314) 6.835 20.338 ( 12.302 12.697 3.986) 18.123 20.986 ( -0.498 -8.451 -1.397) 8.580 21.332 ( 8.355 13.614 -2.712) 16.202 22.605 ( 3.899 -16.305 0.321) 16.768 23.211 ( 1.080 4.209 -1.405) 4.567 23.597 ( 2.488 -5.590 -4.249) 7.449 24.040 ( -4.581 2.731 2.582) 5.926 24.363 ( 2.824 -1.071 -0.173) 3.025 ======================= Grid point 94 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 9.412 -1.580 4.815) 10.690 1.427 ( 3.680 6.051 2.123) 7.393 1.632 ( 14.416 0.790 4.099) 15.008 1.964 ( -1.068 -0.636 -1.201) 1.728 2.150 ( -1.768 4.128 -1.281) 4.670 2.248 ( 3.251 -3.627 -3.328) 5.899 2.615 ( 6.709 8.743 -2.150) 11.228 2.692 ( 9.169 1.791 7.590) 12.037 3.049 ( 1.424 1.240 2.815) 3.389 3.127 ( 0.757 1.067 -1.361) 1.888 3.229 ( 3.609 0.436 -1.541) 3.948 3.301 ( -0.469 1.261 0.724) 1.528 3.557 ( 1.345 1.254 0.366) 1.875 3.706 ( 3.730 4.952 2.417) 6.653 3.857 ( -4.426 0.699 5.041) 6.745 4.000 ( -0.442 9.141 4.095) 10.026 4.345 ( 3.457 6.655 4.133) 8.563 4.459 ( 9.066 -6.101 -7.677) 13.355 4.880 ( -3.642 -11.658 -0.130) 12.214 4.993 ( -1.621 -6.628 6.608) 9.499 5.197 ( 1.820 2.873 -4.031) 5.274 5.359 ( 14.064 -4.334 -8.636) 17.063 5.486 ( 6.756 -5.595 1.902) 8.976 5.623 ( -5.915 1.520 -4.311) 7.475 5.937 ( -0.667 2.291 2.178) 3.230 6.068 ( -2.971 1.445 0.248) 3.313 6.193 ( 0.719 -2.649 0.052) 2.745 6.371 ( -5.925 -0.200 -7.902) 9.879 6.581 ( 0.017 4.393 -7.433) 8.634 6.815 ( -3.087 7.202 2.890) 8.352 7.097 ( -1.207 -1.150 5.077) 5.344 7.287 ( 0.106 7.808 8.032) 11.202 7.448 ( -2.377 -2.898 0.646) 3.804 7.559 ( -5.182 3.307 -0.554) 6.172 7.770 ( 9.525 1.823 0.576) 9.715 8.129 ( -2.869 -5.411 -3.366) 6.988 8.372 ( -3.593 0.189 -1.147) 3.777 8.472 ( 0.613 -7.853 -1.976) 8.121 8.627 ( 2.905 3.090 -2.327) 4.837 8.977 ( -1.889 0.954 2.342) 3.156 9.116 ( 2.532 -2.066 0.681) 3.338 9.451 ( 0.924 2.954 4.971) 5.856 9.742 ( -1.643 1.020 -1.833) 2.664 9.797 ( 7.551 -0.720 -3.487) 8.348 10.500 ( 1.192 1.887 0.887) 2.402 10.672 ( -0.654 -0.787 4.623) 4.735 11.771 ( -2.106 1.180 3.447) 4.209 12.106 ( -8.706 -2.678 1.555) 9.241 12.475 ( 1.188 -8.586 -0.443) 8.679 12.711 ( 6.518 7.014 1.273) 9.659 13.063 ( -5.305 4.907 5.898) 9.328 13.735 ( -1.022 -2.107 -0.013) 2.342 13.990 ( -0.217 5.844 -1.026) 5.937 14.150 ( -2.358 -4.109 -2.771) 5.489 14.385 ( 4.843 -3.226 1.387) 5.982 14.528 ( -1.113 -2.129 -1.038) 2.617 14.681 ( 3.005 6.683 -2.436) 7.722 15.081 ( -0.198 -0.840 -1.562) 1.785 15.299 ( -2.805 3.867 -2.851) 5.563 15.492 ( -3.944 -6.568 1.323) 7.775 15.959 ( -4.730 2.684 9.324) 10.794 16.120 ( 5.774 -0.608 2.341) 6.260 17.212 ( 1.139 -20.587 -8.822) 22.427 17.421 ( -0.710 2.010 -6.602) 6.937 18.284 ( -23.459 -0.880 -6.026) 24.237 18.360 ( 2.973 -1.364 1.188) 3.480 19.045 ( 0.054 2.462 2.474) 3.491 19.224 ( 13.447 12.584 5.753) 19.294 19.466 ( -4.989 -6.859 -0.625) 8.505 20.000 ( -7.658 -5.012 3.319) 9.735 20.351 ( 9.538 10.791 4.243) 15.014 21.087 ( 2.592 -5.044 0.818) 5.730 21.261 ( 7.825 9.889 -3.054) 12.975 22.805 ( 0.775 -8.397 -0.992) 8.491 23.180 ( -0.572 -0.448 0.404) 0.831 23.662 ( 1.564 -4.352 -3.876) 6.034 23.946 ( -5.532 3.691 2.687) 7.173 24.407 ( 3.210 -0.092 -0.943) 3.346 ======================= Grid point 95 (39/140) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 4.402 9.445 5.739) 11.896 1.462 ( 5.844 0.274 1.725) 6.100 1.743 ( 5.717 6.891 3.442) 9.593 1.884 ( 0.885 2.124 -2.807) 3.630 2.111 ( -2.698 -0.066 -0.464) 2.738 2.375 ( 7.847 -3.331 0.718) 8.555 2.572 ( 7.681 8.619 -2.088) 11.732 2.830 ( 7.298 1.928 4.961) 9.033 3.015 ( 0.305 5.562 1.072) 5.673 3.089 ( 1.561 5.675 -0.770) 5.936 3.225 ( -2.130 0.704 -2.598) 3.433 3.291 ( -0.112 0.317 -0.381) 0.508 3.602 ( 5.107 -1.554 1.557) 5.561 3.697 ( 2.439 4.063 1.134) 4.872 3.788 ( -6.009 5.083 5.603) 9.661 3.877 ( -1.665 8.842 2.803) 9.424 4.277 ( 0.813 9.718 2.597) 10.092 4.586 ( 5.541 -4.748 -6.128) 9.528 4.882 ( -4.579 -0.796 -2.396) 5.229 4.980 ( -9.409 4.774 2.503) 10.844 5.085 ( -9.975 0.439 -0.002) 9.984 5.421 ( -9.689 -0.199 -3.961) 10.469 5.593 ( 12.296 -2.318 -5.566) 13.695 5.709 ( 6.015 -5.398 7.779) 11.217 5.981 ( 5.872 -1.250 0.266) 6.010 6.029 ( 1.301 -0.806 -3.653) 3.961 6.237 ( 0.351 -0.230 -0.372) 0.560 6.335 ( 0.469 -6.992 -5.081) 8.656 6.534 ( 7.158 0.338 -9.543) 11.934 6.730 ( -0.415 3.714 3.205) 4.923 7.152 ( -1.378 -3.278 7.796) 8.568 7.268 ( -0.015 2.662 6.083) 6.640 7.415 ( -6.466 2.544 -0.965) 7.015 7.457 ( -3.919 -0.794 1.713) 4.350 7.890 ( 12.463 1.926 0.455) 12.619 8.143 ( -2.696 -6.022 -8.212) 10.534 8.336 ( 0.768 0.641 0.266) 1.035 8.560 ( -2.438 -6.703 1.724) 7.338 8.601 ( -0.226 1.111 -2.098) 2.385 8.939 ( -0.752 3.246 1.597) 3.695 9.152 ( 0.369 0.750 1.644) 1.844 9.435 ( -1.113 4.262 3.531) 5.645 9.698 ( -1.403 1.226 0.342) 1.894 9.864 ( 5.473 0.348 -3.071) 6.286 10.489 ( 1.370 3.370 0.897) 3.747 10.711 ( -0.160 -2.329 4.181) 4.789 11.760 ( -5.526 -3.358 4.642) 7.960 12.040 ( -10.158 -3.908 0.939) 10.924 12.581 ( 1.669 -3.899 -0.967) 4.350 12.688 ( 4.461 6.910 -0.141) 8.226 12.986 ( -4.040 3.010 8.710) 10.062 13.762 ( -0.303 -1.553 0.967) 1.854 13.940 ( 0.547 1.011 -0.213) 1.169 14.118 ( -5.854 -2.256 -3.287) 7.082 14.484 ( 1.441 -2.744 -0.757) 3.190 14.530 ( 1.568 0.029 1.884) 2.451 14.625 ( 1.528 3.255 -3.707) 5.165 15.085 ( -0.724 -1.450 0.693) 1.763 15.178 ( -1.467 5.599 -6.666) 8.828 15.539 ( -2.136 -4.318 1.592) 5.073 15.920 ( -4.480 1.746 7.964) 9.303 16.227 ( 9.138 0.537 2.306) 9.440 17.334 ( -4.754 -0.276 -7.217) 8.646 17.483 ( 8.310 -16.740 -6.820) 19.895 17.976 ( -17.573 1.013 -6.052) 18.613 18.422 ( 3.162 -2.978 -1.449) 4.579 18.949 ( -1.116 5.816 -2.559) 6.451 19.289 ( 4.663 4.433 2.878) 7.048 19.576 ( 5.640 -6.356 3.566) 9.215 19.998 ( -7.820 -4.821 7.509) 11.865 20.341 ( 5.991 9.016 3.973) 11.531 21.183 ( 5.192 -1.148 -1.029) 5.416 21.228 ( 6.477 6.470 -0.417) 9.164 22.819 ( -3.847 0.653 -2.619) 4.699 23.206 ( -1.699 -2.558 1.960) 3.643 23.708 ( 0.992 -4.258 -4.558) 6.316 23.865 ( -4.171 0.989 3.875) 5.778 24.431 ( 3.594 1.616 -2.128) 4.478 ======================= Grid point 96 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.658 17.809 4.940) 18.493 1.399 ( -3.773 14.900 0.087) 15.371 1.808 ( 4.967 -1.347 2.734) 5.827 1.933 ( 9.555 -3.419 0.386) 10.155 2.069 ( -4.795 -1.081 0.820) 4.984 2.450 ( 2.965 5.286 -1.701) 6.295 2.581 ( 8.709 3.718 0.202) 9.471 2.731 ( -6.492 15.462 3.376) 17.106 2.980 ( -1.487 5.046 -2.343) 5.759 3.035 ( 4.345 9.101 3.317) 10.616 3.137 ( -4.383 -0.339 -0.820) 4.472 3.295 ( 0.590 -1.631 -2.204) 2.805 3.615 ( -1.925 7.192 -1.864) 7.674 3.685 ( 1.007 3.092 2.156) 3.902 3.749 ( 5.293 -1.438 3.383) 6.444 3.813 ( 2.216 4.760 6.299) 8.200 4.176 ( -0.068 7.264 1.106) 7.348 4.609 ( -2.177 0.533 -4.843) 5.337 4.752 ( -8.328 6.649 -0.705) 10.680 4.792 ( -7.406 5.200 -2.917) 9.508 4.974 ( -6.464 0.664 3.290) 7.284 5.218 ( -12.113 2.193 -5.074) 13.314 5.706 ( 9.515 2.034 -6.353) 11.620 5.909 ( 4.526 -5.697 9.454) 11.930 5.977 ( -1.306 -3.651 -10.708) 11.389 6.117 ( 4.201 -3.172 0.022) 5.264 6.272 ( 2.595 -0.775 2.653) 3.791 6.444 ( 2.945 -9.422 -0.521) 9.885 6.638 ( 12.040 -4.345 -8.381) 15.299 6.758 ( 2.878 -1.869 2.291) 4.126 7.229 ( -2.919 -3.595 9.712) 10.759 7.261 ( -1.478 1.510 0.871) 2.285 7.303 ( -3.561 2.325 -1.201) 4.419 7.448 ( -5.385 -3.598 5.814) 8.703 8.024 ( 13.335 2.402 -1.399) 13.621 8.125 ( -1.414 -5.056 -10.965) 12.157 8.370 ( 3.302 -0.470 -0.100) 3.337 8.538 ( -5.098 1.063 1.075) 5.317 8.647 ( -1.799 -6.432 5.181) 8.453 8.903 ( 2.130 4.217 -0.013) 4.724 9.124 ( -0.915 4.018 1.472) 4.376 9.335 ( -6.205 6.459 2.028) 9.183 9.688 ( -1.262 -0.041 2.934) 3.194 9.890 ( 4.093 1.500 -3.030) 5.309 10.455 ( 0.880 4.556 1.135) 4.777 10.783 ( 1.577 -4.061 1.960) 4.778 11.769 ( -13.236 -9.087 7.577) 17.753 11.972 ( -7.509 -3.863 -1.414) 8.562 12.595 ( 0.607 2.203 -0.526) 2.345 12.641 ( 2.953 6.769 -0.804) 7.429 13.015 ( -1.446 -2.934 10.508) 11.006 13.764 ( 0.115 1.395 0.465) 1.475 13.964 ( -0.463 -2.580 1.521) 3.031 14.044 ( -5.809 -1.633 -2.657) 6.593 14.485 ( 1.707 0.969 -2.265) 2.997 14.571 ( 0.304 0.895 -3.541) 3.665 14.603 ( 0.151 -2.378 0.345) 2.408 15.019 ( 0.548 5.735 -13.065) 14.278 15.145 ( 0.617 -1.341 9.009) 9.130 15.557 ( -3.076 -0.426 3.955) 5.029 15.910 ( -2.850 -1.245 5.303) 6.148 16.369 ( 13.835 2.021 2.716) 14.243 17.155 ( -9.852 6.347 -9.906) 15.346 17.683 ( 1.937 -4.056 -14.797) 15.465 17.896 ( 1.347 -12.986 10.087) 16.499 18.505 ( 2.586 -4.801 -2.157) 5.864 18.875 ( -0.821 0.323 -2.051) 2.232 19.271 ( -1.255 2.651 1.656) 3.369 19.706 ( 3.990 -0.657 -2.448) 4.727 20.056 ( -3.110 -7.519 8.824) 12.003 20.320 ( 3.382 6.585 4.820) 8.834 21.187 ( 7.265 5.363 -9.579) 13.164 21.287 ( 4.925 1.368 8.361) 9.800 22.685 ( -7.412 5.704 -3.539) 10.000 23.189 ( -3.450 1.845 1.652) 4.246 23.742 ( 0.804 -4.278 -6.594) 7.901 23.884 ( -1.497 -4.364 6.000) 7.569 24.427 ( 3.937 3.478 -3.573) 6.353 ======================= Grid point 97 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -7.587 22.798 -3.732) 24.315 1.066 ( 0.919 21.066 8.370) 22.687 1.788 ( -2.940 10.110 3.098) 10.975 1.964 ( -6.201 4.151 1.721) 7.658 2.228 ( 9.820 -6.953 0.347) 12.038 2.271 ( -2.887 12.144 -0.358) 12.487 2.481 ( -3.128 10.042 2.180) 10.741 2.672 ( 7.340 1.732 2.470) 7.935 2.868 ( -6.347 8.331 -0.867) 10.510 2.885 ( -2.366 3.365 -0.057) 4.114 3.154 ( 2.302 0.742 -0.747) 2.531 3.283 ( -3.943 -0.489 -1.930) 4.417 3.533 ( 2.636 2.985 -1.263) 4.178 3.666 ( -2.712 3.458 6.362) 7.732 3.795 ( 5.184 3.712 1.892) 6.651 3.904 ( 6.625 -1.354 2.411) 7.179 4.090 ( -3.322 4.421 0.824) 5.591 4.487 ( -3.771 5.277 -3.483) 7.362 4.543 ( -7.317 8.267 -4.681) 11.991 4.628 ( -5.649 2.835 -1.496) 6.495 4.919 ( -4.007 2.024 2.271) 5.031 5.072 ( -0.946 1.944 -4.054) 4.594 5.720 ( 7.773 3.640 -9.394) 12.725 5.925 ( -4.363 -4.713 -13.315) 14.783 6.088 ( 5.552 -3.026 8.049) 10.236 6.201 ( 2.110 -4.502 -0.201) 4.976 6.347 ( 0.099 -3.992 6.116) 7.304 6.645 ( 5.471 -10.105 3.495) 12.011 6.790 ( 8.877 -4.742 -7.296) 12.430 6.833 ( 0.161 -3.758 1.705) 4.130 7.179 ( -3.786 1.872 -3.970) 5.796 7.262 ( -6.438 -3.058 8.046) 10.749 7.297 ( 0.116 -0.639 3.906) 3.959 7.497 ( -3.337 -5.611 6.684) 9.343 8.103 ( 1.842 0.207 -5.827) 6.114 8.135 ( 10.128 -0.733 -11.201) 15.119 8.404 ( 0.979 2.534 3.661) 4.559 8.466 ( -4.347 -1.143 -1.050) 4.616 8.758 ( -1.834 -6.318 8.435) 10.698 8.887 ( 5.257 4.440 -0.782) 6.926 9.063 ( 0.578 4.721 0.965) 4.853 9.153 ( -9.055 7.123 1.017) 11.565 9.673 ( -5.901 -0.324 3.658) 6.950 9.904 ( 3.576 1.055 -2.412) 4.441 10.412 ( 0.979 4.891 2.167) 5.439 10.865 ( 2.356 -3.955 -2.228) 5.115 11.725 ( -25.369 -12.311 10.373) 30.046 11.977 ( 1.463 -5.479 -4.540) 7.265 12.534 ( 0.875 6.559 -1.712) 6.835 12.606 ( 0.891 3.176 2.283) 4.012 13.120 ( -1.103 -4.736 11.020) 12.045 13.748 ( 0.230 1.735 1.341) 2.205 13.959 ( -3.154 -1.051 -1.059) 3.489 14.043 ( -0.942 -3.626 3.111) 4.869 14.497 ( 3.219 0.907 -0.859) 3.453 14.510 ( -1.300 -0.604 -10.894) 10.988 14.621 ( -0.802 -0.349 -0.980) 1.314 14.886 ( 2.916 5.899 -9.919) 11.904 15.259 ( 2.212 -2.216 13.058) 13.428 15.525 ( -5.031 2.151 7.041) 8.917 15.939 ( -1.392 -3.457 1.145) 3.899 16.565 ( 18.767 2.987 6.284) 20.015 16.821 ( -13.795 9.924 -12.054) 20.835 17.646 ( 1.590 -1.592 -9.538) 9.800 18.260 ( 4.676 -19.824 12.205) 23.744 18.553 ( 0.789 -0.828 -0.005) 1.144 18.917 ( 1.936 -6.687 -1.841) 7.201 19.221 ( -2.849 2.312 2.476) 4.426 19.674 ( -0.305 4.505 -3.304) 5.595 20.157 ( -2.351 -6.071 -1.810) 6.757 20.342 ( 0.659 -1.814 7.652) 7.891 21.120 ( 3.939 5.707 -11.148) 13.128 21.400 ( 8.028 3.321 10.458) 13.596 22.448 ( -6.416 11.251 -6.952) 14.699 23.115 ( -3.782 3.569 2.195) 5.644 23.752 ( 0.669 -3.127 -10.315) 10.799 23.990 ( -0.189 -6.267 6.568) 9.080 24.391 ( 3.571 5.286 -5.281) 8.282 ======================= Grid point 98 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -1.728 22.474 0.945) 22.560 0.893 ( 1.963 19.336 17.209) 25.960 1.486 ( -4.585 29.456 19.862) 35.822 1.889 ( -2.493 -2.485 -7.786) 8.544 2.061 ( -5.675 6.674 -5.629) 10.413 2.280 ( 1.871 11.000 -0.403) 11.165 2.425 ( 0.184 3.518 0.497) 3.558 2.680 ( -4.611 0.432 -2.432) 5.231 2.836 ( 3.368 -8.779 3.795) 10.139 2.861 ( 1.264 0.719 1.245) 1.914 3.122 ( -1.096 3.288 -2.922) 4.534 3.242 ( 1.072 -0.463 -1.724) 2.082 3.539 ( -0.906 1.205 2.953) 3.316 3.600 ( -1.644 4.734 2.836) 5.758 3.821 ( 2.556 3.584 4.124) 6.032 3.955 ( 0.138 9.557 1.842) 9.734 4.032 ( -0.241 -7.541 0.008) 7.545 4.319 ( -4.905 6.819 -8.840) 12.194 4.392 ( 2.071 4.963 -2.369) 5.877 4.560 ( 1.020 1.322 -1.652) 2.349 4.880 ( 1.407 1.885 0.839) 2.498 5.055 ( 4.025 3.592 0.078) 5.395 5.691 ( 3.564 2.761 -12.152) 12.962 5.826 ( -1.081 0.415 -14.659) 14.705 6.203 ( -0.229 -3.906 1.281) 4.117 6.295 ( 2.571 -2.577 3.283) 4.902 6.446 ( -1.558 -6.558 6.733) 9.527 6.796 ( 0.607 -1.154 -1.225) 1.789 6.880 ( 4.061 -4.983 -3.207) 7.184 6.938 ( -2.248 -9.873 10.004) 14.234 7.110 ( -3.559 -2.083 -3.051) 5.130 7.279 ( -6.342 -3.835 7.888) 10.824 7.323 ( -0.092 -0.160 3.772) 3.777 7.568 ( -4.261 -6.793 3.035) 8.574 8.031 ( -2.201 4.475 -6.957) 8.560 8.203 ( 9.795 -1.158 -11.208) 14.930 8.354 ( -3.387 3.840 5.431) 7.464 8.469 ( 0.469 -0.639 -2.796) 2.907 8.799 ( -7.766 0.016 4.997) 9.235 8.895 ( 3.441 5.007 0.840) 6.133 8.961 ( -8.158 4.088 -0.466) 9.137 9.097 ( 9.758 -1.662 1.237) 9.976 9.580 ( -10.604 1.753 4.521) 11.660 9.916 ( 1.567 0.367 -1.731) 2.364 10.388 ( 1.205 3.486 4.427) 5.763 10.893 ( -0.005 -1.300 -7.309) 7.424 11.608 ( -23.111 -8.269 9.503) 26.321 12.073 ( 4.546 -6.757 -3.834) 9.001 12.454 ( 1.011 5.879 -0.249) 5.970 12.585 ( -1.501 2.231 2.819) 3.896 13.251 ( -1.482 -8.288 9.992) 13.066 13.741 ( 0.337 1.712 1.111) 2.069 13.951 ( 1.459 -0.675 -0.988) 1.887 14.101 ( -2.623 -4.092 4.765) 6.806 14.385 ( -4.824 2.228 -9.522) 10.904 14.561 ( 1.214 -0.295 -0.982) 1.589 14.615 ( 6.709 -2.485 -5.283) 8.893 14.831 ( 6.738 3.955 -6.160) 9.949 15.396 ( 0.100 -0.616 17.550) 17.561 15.481 ( -5.599 0.193 8.876) 10.496 15.951 ( -2.338 -1.429 -3.434) 4.394 16.405 ( -13.865 13.969 -9.596) 21.896 16.859 ( 18.466 -2.322 7.081) 19.913 17.646 ( 2.026 -2.542 -7.699) 8.357 18.450 ( -16.820 -9.643 3.489) 19.700 18.624 ( -6.224 -3.356 4.975) 8.646 19.109 ( 15.360 -9.562 5.370) 18.873 19.198 ( -2.549 -2.958 5.938) 7.107 19.575 ( -0.222 5.833 -3.713) 6.918 20.144 ( -2.045 -1.460 -4.880) 5.489 20.447 ( -6.458 -12.527 3.334) 14.483 21.028 ( 5.398 4.447 -9.873) 12.099 21.442 ( -5.489 7.593 9.017) 13.003 22.220 ( 13.213 16.002 -12.940) 24.456 23.034 ( -2.795 4.555 3.558) 6.420 23.691 ( 0.692 3.035 -15.423) 15.734 24.089 ( -0.754 -3.055 4.146) 5.205 24.315 ( 1.784 5.514 -4.484) 7.328 ======================= Grid point 101 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 12.977 -0.000 20.364) 24.147 1.365 ( 18.979 -0.000 -4.481) 19.501 1.543 ( 9.633 -0.000 10.529) 14.271 1.984 ( 9.225 -0.000 -8.652) 12.647 2.035 ( -5.625 0.000 -0.347) 5.635 2.332 ( 1.872 -0.000 -5.823) 6.117 2.713 ( 9.763 -0.000 8.933) 13.234 2.849 ( -2.545 0.000 4.794) 5.428 2.888 ( 7.461 -0.000 -2.044) 7.736 2.965 ( 6.522 -0.000 5.202) 8.343 3.213 ( 5.608 -0.000 -1.428) 5.787 3.454 ( 3.197 -0.000 -2.856) 4.286 3.555 ( -2.647 0.000 -1.472) 3.029 3.799 ( 3.021 -0.000 5.503) 6.278 3.881 ( 3.986 -0.000 3.963) 5.621 4.131 ( 9.484 -0.000 -4.931) 10.689 4.160 ( 17.605 -0.000 10.422) 20.458 4.320 ( -2.020 0.000 0.995) 2.251 4.392 ( 2.957 -0.000 1.495) 3.313 4.750 ( 3.275 -0.000 5.668) 6.546 5.166 ( 13.719 -0.000 -8.244) 16.006 5.209 ( 9.216 -0.000 -7.920) 12.152 5.305 ( 0.397 -0.000 -13.488) 13.494 5.777 ( -5.440 0.000 -4.909) 7.328 5.960 ( 3.726 -0.000 3.477) 5.096 6.043 ( -11.600 0.000 2.795) 11.932 6.379 ( -8.551 0.000 3.387) 9.197 6.509 ( -7.577 0.000 -7.517) 10.674 6.810 ( -2.156 0.000 3.258) 3.907 6.924 ( -4.247 0.000 -2.719) 5.043 7.312 ( -5.149 0.000 5.567) 7.583 7.338 ( -1.031 0.000 3.850) 3.986 7.427 ( 0.843 -0.000 2.380) 2.525 7.665 ( 1.025 -0.000 -5.687) 5.778 7.729 ( 5.097 -0.000 -0.293) 5.105 8.106 ( -0.654 0.000 4.599) 4.645 8.235 ( -9.736 0.000 1.823) 9.905 8.374 ( 1.319 -0.000 -5.902) 6.047 8.810 ( 1.165 -0.000 -2.603) 2.852 8.833 ( 11.457 -0.000 -2.291) 11.684 8.990 ( 0.950 -0.000 4.696) 4.792 9.473 ( 0.471 -0.000 6.602) 6.618 9.767 ( 11.630 -0.000 -9.197) 14.827 9.774 ( -2.797 0.000 -2.972) 4.081 10.524 ( -0.593 0.000 -3.664) 3.712 10.613 ( 1.043 -0.000 8.242) 8.307 11.846 ( 4.030 -0.000 0.688) 4.088 12.194 ( -12.530 0.000 0.751) 12.553 12.213 ( -3.478 0.000 5.023) 6.110 12.772 ( 11.589 -0.000 3.851) 12.212 13.167 ( -4.706 0.000 -2.413) 5.289 13.893 ( 7.125 -0.000 -0.110) 7.125 13.903 ( -6.864 0.000 -4.518) 8.217 14.254 ( 3.838 -0.000 1.260) 4.039 14.290 ( -5.483 0.000 -3.953) 6.759 14.379 ( 4.318 -0.000 5.303) 6.839 14.871 ( 3.128 -0.000 -4.798) 5.728 15.082 ( 3.341 -0.000 -10.131) 10.667 15.366 ( -6.319 0.000 7.323) 9.672 15.373 ( -1.991 0.000 11.243) 11.418 15.948 ( 1.895 -0.000 4.885) 5.240 16.047 ( 0.641 -0.000 -2.087) 2.184 16.721 ( -9.667 0.000 2.763) 10.055 17.601 ( -2.874 0.000 -12.904) 13.221 18.215 ( 1.049 -0.000 14.734) 14.771 18.534 ( -22.732 0.000 0.386) 22.735 19.012 ( 8.692 -0.000 11.960) 14.784 19.253 ( -1.313 0.000 -8.815) 8.913 19.679 ( -7.570 0.000 3.728) 8.438 19.935 ( -5.178 0.000 -5.824) 7.793 20.631 ( 12.873 -0.000 4.748) 13.721 20.764 ( 0.816 -0.000 -4.991) 5.058 21.654 ( 7.292 -0.000 -7.739) 10.634 22.245 ( 6.398 -0.000 4.858) 8.034 23.367 ( 3.781 -0.000 -7.003) 7.959 23.420 ( -0.264 0.000 1.466) 1.490 24.080 ( -3.301 0.000 2.190) 3.961 24.344 ( 2.819 -0.000 0.118) 2.822 ======================= Grid point 102 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 16.907 -0.651 14.129) 22.043 1.573 ( 10.966 -0.617 -1.555) 11.093 1.703 ( 17.080 6.815 4.829) 19.013 1.946 ( 2.125 2.208 0.909) 3.197 2.112 ( 5.726 -5.984 -5.385) 9.879 2.277 ( -2.747 1.980 -6.970) 7.749 2.771 ( 5.034 5.871 4.638) 9.018 2.838 ( 3.470 3.186 3.012) 5.592 3.025 ( 8.444 -0.754 -0.236) 8.481 3.087 ( 3.900 -2.051 3.439) 5.590 3.244 ( 0.569 -0.007 -0.442) 0.720 3.437 ( 3.722 5.749 -1.000) 6.921 3.565 ( 3.467 -1.229 -1.738) 4.069 3.861 ( 2.327 2.635 6.197) 7.125 3.897 ( 2.301 4.973 1.947) 5.815 4.179 ( 3.892 3.996 2.171) 5.986 4.374 ( 6.981 1.003 -2.035) 7.341 4.438 ( 5.506 -6.355 -2.379) 8.738 4.475 ( 6.138 -7.614 9.423) 13.580 4.853 ( 1.962 -3.670 7.655) 8.713 5.224 ( 3.885 -1.538 -13.933) 14.546 5.254 ( 5.437 -1.232 -6.567) 8.614 5.369 ( 13.557 -2.544 -0.631) 13.808 5.700 ( -1.299 1.934 -5.219) 5.716 5.940 ( -6.814 -2.770 1.114) 7.439 6.021 ( 2.924 0.042 1.688) 3.376 6.266 ( -6.971 3.886 1.376) 8.099 6.368 ( -8.887 -0.892 -5.681) 10.585 6.733 ( -2.969 6.756 -2.064) 7.663 6.892 ( -3.553 -2.736 0.605) 4.525 7.179 ( -2.356 8.541 4.786) 10.070 7.406 ( -2.639 -1.394 2.993) 4.227 7.471 ( -3.016 -7.638 -1.403) 8.331 7.574 ( 0.452 9.737 -0.036) 9.747 7.798 ( 7.251 -0.256 -1.182) 7.351 8.097 ( -7.857 2.086 2.311) 8.451 8.215 ( -0.220 -7.301 3.896) 8.278 8.369 ( 1.169 -1.970 -5.280) 5.756 8.745 ( -1.073 3.877 -4.565) 6.084 8.973 ( 6.142 -0.279 1.583) 6.349 9.047 ( 2.657 -2.819 2.469) 4.593 9.511 ( 1.279 1.378 4.825) 5.178 9.734 ( -1.334 -0.646 -2.361) 2.788 9.838 ( 10.294 2.202 -7.018) 12.652 10.525 ( 3.051 0.158 -1.399) 3.360 10.667 ( -0.117 0.115 6.744) 6.746 11.831 ( -3.939 2.439 1.564) 4.890 12.044 ( -12.690 -1.610 0.489) 12.801 12.276 ( 1.767 -5.121 5.088) 7.432 12.896 ( 9.406 5.466 3.288) 11.365 13.117 ( -2.874 -0.668 0.313) 2.967 13.761 ( -4.336 3.512 -1.598) 5.804 14.009 ( 1.841 -5.111 -1.340) 5.595 14.157 ( -5.002 4.488 -3.011) 7.363 14.320 ( 4.054 -1.492 0.948) 4.422 14.469 ( 2.236 -1.601 2.784) 3.913 14.851 ( 3.121 3.984 -3.854) 6.361 15.058 ( 1.151 -0.836 -8.000) 8.125 15.321 ( -6.707 0.576 7.618) 10.166 15.424 ( -0.340 0.237 5.243) 5.259 15.996 ( -2.031 -0.312 5.528) 5.898 16.059 ( 2.295 -2.934 -0.316) 3.739 16.709 ( -6.382 -12.339 -0.777) 13.913 17.462 ( -3.378 0.791 -14.020) 14.443 18.245 ( -21.791 -0.781 -3.457) 22.078 18.313 ( -0.897 -1.816 9.545) 9.758 19.131 ( 5.494 4.686 5.417) 9.027 19.274 ( 2.549 -5.745 1.672) 6.504 19.576 ( -1.197 9.125 2.986) 9.675 19.869 ( -5.635 -4.686 -3.233) 8.010 20.647 ( 7.507 10.786 0.150) 13.142 20.921 ( 7.638 -7.644 2.606) 11.116 21.579 ( 5.802 11.641 -7.739) 15.135 22.468 ( 6.270 -12.768 3.656) 14.687 23.274 ( -0.837 6.440 -3.266) 7.269 23.502 ( -0.372 -7.402 -1.171) 7.503 24.029 ( -4.492 2.008 1.768) 5.228 24.388 ( 3.185 -0.798 -0.229) 3.291 ======================= Grid point 103 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 11.388 4.199 2.643) 12.422 1.580 ( 6.573 6.363 3.991) 9.981 1.913 ( 17.618 3.932 2.908) 18.285 1.987 ( 3.887 3.043 1.412) 5.134 2.153 ( -3.200 3.160 -4.447) 6.325 2.252 ( 9.171 -5.129 -1.302) 10.588 2.757 ( 2.020 4.147 -1.859) 4.973 2.906 ( 9.053 3.723 5.983) 11.473 3.087 ( 4.960 2.089 -4.541) 7.042 3.140 ( 1.160 0.375 0.920) 1.528 3.255 ( 0.752 -1.278 1.396) 2.037 3.406 ( 4.226 7.068 0.334) 8.242 3.614 ( 5.314 1.207 -0.235) 5.454 3.853 ( -1.225 3.881 1.666) 4.397 3.859 ( 1.384 6.175 5.941) 8.680 4.148 ( -0.162 8.719 4.277) 9.713 4.412 ( 6.874 -1.602 -8.162) 10.791 4.528 ( 0.874 0.177 3.988) 4.086 4.688 ( 2.256 -8.234 1.750) 8.715 4.953 ( 0.108 -2.952 3.439) 4.533 5.178 ( -4.749 1.247 -5.506) 7.377 5.318 ( 1.386 -5.890 -4.225) 7.380 5.553 ( 6.156 -2.084 0.496) 6.518 5.633 ( 4.229 3.189 -1.794) 5.592 5.990 ( 6.940 -2.049 -0.308) 7.243 6.052 ( -0.216 -1.181 -0.203) 1.218 6.157 ( -3.154 0.331 -0.469) 3.206 6.269 ( -2.751 -0.702 -2.227) 3.609 6.588 ( -1.061 5.094 -7.622) 9.228 6.873 ( -2.985 1.789 3.007) 4.599 7.111 ( -0.897 3.259 5.178) 6.184 7.356 ( -3.446 1.473 -6.257) 7.294 7.444 ( -3.468 3.956 7.965) 9.545 7.513 ( -3.433 1.077 1.358) 3.846 7.907 ( 7.856 -1.824 -0.108) 8.065 8.016 ( -3.034 -1.502 -2.591) 4.263 8.289 ( -2.677 -4.333 -0.258) 5.099 8.420 ( 3.368 -3.426 1.121) 4.934 8.642 ( -4.369 1.819 -4.173) 6.310 9.013 ( 0.829 2.093 4.928) 5.418 9.144 ( 5.416 -1.079 0.162) 5.524 9.522 ( 0.632 2.701 2.807) 3.946 9.726 ( 0.375 -0.342 -0.829) 0.972 9.889 ( 8.325 2.143 -5.081) 9.986 10.560 ( 4.420 1.830 -0.325) 4.795 10.689 ( -1.326 0.377 5.428) 5.600 11.739 ( -7.766 1.274 2.302) 8.200 11.931 ( -11.468 -3.977 0.220) 12.140 12.423 ( 3.172 -6.696 5.430) 9.186 12.901 ( 4.892 8.320 0.333) 9.658 13.093 ( -1.652 3.028 3.576) 4.969 13.709 ( -0.707 -0.907 1.344) 1.769 14.024 ( -3.802 3.175 -1.102) 5.074 14.046 ( -3.763 -2.717 -3.190) 5.632 14.410 ( 4.107 -2.808 1.428) 5.176 14.504 ( 1.672 0.206 -1.300) 2.128 14.799 ( 2.731 6.983 -2.137) 7.797 15.042 ( -0.039 -1.756 -4.438) 4.773 15.270 ( -7.172 1.025 5.907) 9.348 15.440 ( 2.242 -0.510 -1.087) 2.544 15.971 ( -4.817 1.439 6.218) 7.996 16.171 ( 4.244 -4.907 2.875) 7.096 16.863 ( -3.321 -21.415 -4.696) 22.174 17.354 ( -1.239 -1.801 -12.341) 12.533 17.974 ( -17.508 -0.212 -4.838) 18.166 18.355 ( -2.389 -2.384 2.547) 4.228 19.128 ( 2.863 6.096 -1.058) 6.817 19.366 ( -2.793 -1.438 4.093) 5.160 19.532 ( 9.697 5.478 4.894) 12.165 19.869 ( -4.799 -5.177 2.576) 7.515 20.597 ( 5.336 9.397 0.538) 10.820 21.114 ( 7.785 -3.354 4.421) 9.561 21.461 ( 5.717 9.729 -6.747) 13.148 22.708 ( 4.003 -9.221 2.451) 10.347 23.167 ( -3.184 2.474 -2.456) 4.721 23.573 ( -0.997 -6.179 -1.688) 6.482 23.943 ( -4.814 3.432 1.873) 6.202 24.434 ( 3.088 -0.800 -1.293) 3.442 ======================= Grid point 104 (46/140) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 7.559 1.523 -0.938) 7.768 1.641 ( 5.824 9.501 7.328) 13.337 1.915 ( 0.898 8.491 1.004) 8.597 1.969 ( 3.360 7.171 -4.916) 9.321 2.144 ( 6.067 3.429 3.134) 7.641 2.441 ( 9.279 -3.834 0.467) 10.051 2.712 ( 2.085 3.545 -2.450) 4.787 2.992 ( 5.347 5.110 3.785) 8.308 3.068 ( 3.414 2.302 -3.272) 5.259 3.134 ( 0.778 0.985 -1.927) 2.300 3.282 ( 2.685 4.131 0.057) 4.927 3.341 ( 0.045 6.609 0.795) 6.656 3.671 ( 5.986 1.031 -0.416) 6.088 3.796 ( 1.931 4.888 -0.799) 5.316 3.828 ( -2.131 4.313 7.689) 9.070 4.023 ( -0.623 10.541 3.613) 11.161 4.437 ( 4.666 6.864 -0.915) 8.350 4.548 ( -1.838 -2.702 0.960) 3.406 4.763 ( 0.799 -3.021 -5.024) 5.917 4.952 ( -8.516 4.943 -3.323) 10.392 4.981 ( -6.193 1.177 -1.001) 6.383 5.299 ( -8.866 2.698 -1.683) 9.419 5.625 ( 1.879 -6.960 -0.794) 7.253 5.733 ( 5.844 -3.346 3.655) 7.662 5.992 ( -1.309 0.921 -3.272) 3.643 6.103 ( 6.066 2.459 2.277) 6.930 6.217 ( 1.222 -5.497 0.557) 5.659 6.313 ( 8.228 -0.179 -0.624) 8.254 6.533 ( 5.796 -2.712 -10.204) 12.044 6.819 ( -0.456 4.212 3.055) 5.223 7.126 ( -1.391 -1.421 6.915) 7.195 7.251 ( -4.493 0.380 -5.375) 7.015 7.406 ( -7.266 0.720 -0.187) 7.304 7.442 ( -1.035 4.708 9.285) 10.462 7.974 ( -3.238 -5.356 -4.870) 7.930 8.067 ( 12.122 -0.364 -4.615) 12.976 8.317 ( -1.089 -4.430 1.181) 4.712 8.496 ( -0.698 -0.637 2.617) 2.783 8.566 ( -3.297 -2.015 0.173) 3.867 9.018 ( 1.381 3.469 4.892) 6.154 9.195 ( 3.292 1.895 0.302) 3.810 9.472 ( -3.545 4.391 0.984) 5.728 9.736 ( 2.182 1.645 0.691) 2.819 9.926 ( 5.680 1.596 -3.761) 6.997 10.566 ( 2.609 3.734 0.062) 4.555 10.711 ( 0.231 -0.928 3.865) 3.982 11.638 ( -11.430 -1.478 3.541) 12.057 11.861 ( -8.258 -4.495 -0.931) 9.448 12.579 ( 2.973 -5.100 5.256) 7.904 12.831 ( 2.659 7.799 -1.492) 8.374 13.039 ( -2.291 5.126 6.345) 8.473 13.760 ( 2.276 -1.863 2.703) 3.994 13.939 ( -3.384 0.723 -1.544) 3.789 14.000 ( -5.120 -1.550 -1.777) 5.637 14.479 ( 2.589 0.197 -2.670) 3.724 14.525 ( 1.584 -2.849 0.323) 3.275 14.708 ( 0.709 7.787 -2.214) 8.127 15.053 ( 1.005 -2.175 -3.645) 4.362 15.187 ( -5.140 3.199 4.357) 7.459 15.489 ( 2.290 -2.994 -1.547) 4.074 15.929 ( -5.335 1.523 7.760) 9.539 16.328 ( 8.949 -4.937 0.701) 10.245 17.045 ( -9.870 -17.745 -5.693) 21.089 17.365 ( 5.508 -9.247 -10.561) 15.079 17.777 ( -9.702 -0.315 -2.032) 9.917 18.371 ( -1.459 -4.474 -1.824) 5.047 19.033 ( 1.406 9.130 -3.092) 9.742 19.343 ( -1.840 2.258 3.065) 4.228 19.653 ( 6.031 -1.715 2.499) 6.750 19.911 ( -2.830 -4.274 5.626) 7.611 20.540 ( 3.504 8.942 2.292) 9.874 21.248 ( 6.185 -0.259 0.122) 6.192 21.398 ( 6.282 6.333 -0.435) 8.931 22.791 ( -0.265 2.157 -0.608) 2.257 23.131 ( -3.574 -4.863 0.014) 6.035 23.624 ( -0.691 -5.096 -2.543) 5.737 23.861 ( -3.559 2.396 2.936) 5.199 24.466 ( 2.813 -0.173 -2.935) 4.069 ======================= Grid point 105 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.666 14.612 7.943) 16.645 1.586 ( 3.720 14.280 -2.703) 15.002 1.872 ( -1.322 -1.394 -7.500) 7.742 1.902 ( 4.462 -0.848 3.782) 5.910 2.158 ( 3.239 6.774 4.122) 8.566 2.516 ( 2.014 3.150 -3.371) 5.034 2.720 ( 4.719 0.791 0.178) 4.788 2.879 ( -2.554 13.566 2.363) 14.005 3.075 ( 2.677 8.750 -1.065) 9.212 3.120 ( -0.584 1.483 -0.061) 1.595 3.200 ( 2.963 6.135 -0.358) 6.823 3.272 ( -2.277 3.181 -1.550) 4.208 3.667 ( -0.552 4.609 -3.790) 5.993 3.765 ( 1.248 4.428 2.673) 5.321 3.799 ( -0.161 0.331 2.332) 2.361 3.972 ( 4.387 5.931 6.594) 9.894 4.351 ( 2.841 14.214 4.176) 15.085 4.534 ( -3.949 -1.358 -1.174) 4.338 4.669 ( -7.290 2.730 -9.435) 12.232 4.790 ( -0.296 4.277 -2.917) 5.186 4.952 ( -1.797 0.323 0.042) 1.827 5.097 ( -8.635 3.481 -0.987) 9.363 5.723 ( -5.237 -8.870 -5.865) 11.854 5.797 ( 6.574 1.452 -4.876) 8.313 6.042 ( 4.993 -1.813 6.301) 8.241 6.147 ( 1.187 -0.300 2.646) 2.916 6.279 ( -0.164 -3.089 3.372) 4.576 6.405 ( 5.171 -2.150 -0.097) 5.601 6.657 ( 10.895 -5.712 -8.778) 15.112 6.818 ( 2.242 0.780 1.604) 2.865 7.161 ( -6.124 -1.702 3.142) 7.091 7.201 ( -0.822 -4.106 1.185) 4.352 7.272 ( -6.739 2.083 -3.947) 8.083 7.455 ( -1.881 1.956 11.331) 11.651 7.975 ( 0.714 -5.853 -11.015) 12.494 8.190 ( 11.346 0.696 -5.788) 12.756 8.381 ( -1.379 -4.574 1.573) 5.029 8.460 ( -4.596 0.135 3.173) 5.587 8.620 ( 0.607 -2.914 7.760) 8.311 9.018 ( 2.127 3.918 3.608) 5.735 9.183 ( 1.990 4.630 0.093) 5.040 9.332 ( -7.253 6.633 0.383) 9.836 9.729 ( 0.274 3.225 1.291) 3.484 9.943 ( 3.718 1.616 -2.633) 4.834 10.540 ( 1.586 4.349 1.037) 4.744 10.760 ( 0.901 -2.685 0.747) 2.929 11.534 ( -14.380 -3.318 5.503) 15.750 11.840 ( -2.659 -4.977 -3.073) 6.425 12.661 ( 1.743 1.942 2.976) 3.958 12.759 ( 2.800 6.754 -2.005) 7.581 13.017 ( -3.615 -0.800 10.740) 11.361 13.800 ( 0.779 1.526 0.938) 1.954 13.911 ( -1.629 -2.314 -0.642) 2.901 13.969 ( -2.096 -1.858 1.147) 3.026 14.478 ( 2.560 -0.401 -6.649) 7.136 14.565 ( -1.517 1.207 -1.431) 2.410 14.610 ( 0.238 2.540 -0.823) 2.681 15.018 ( 0.602 3.308 -8.121) 8.789 15.193 ( 0.443 -2.222 10.346) 10.591 15.535 ( 0.165 -1.667 0.596) 1.778 15.900 ( -4.292 0.438 7.185) 8.381 16.533 ( 13.446 -4.893 -1.967) 14.443 16.973 ( -13.589 -2.410 -6.279) 15.162 17.530 ( 3.867 -10.393 -14.606) 18.338 17.786 ( 0.021 -10.759 8.067) 13.447 18.435 ( 1.692 -7.240 -2.448) 7.828 18.923 ( 1.653 6.852 -1.621) 7.232 19.298 ( -2.331 3.256 2.475) 4.708 19.724 ( 1.631 -0.624 -0.354) 1.782 19.959 ( -4.200 -5.768 0.656) 7.165 20.476 ( 1.047 8.207 4.275) 9.312 21.240 ( 1.838 3.080 -9.048) 9.733 21.481 ( 8.750 3.057 11.651) 14.888 22.674 ( -3.775 7.620 -3.533) 9.208 23.159 ( -2.288 -2.589 1.631) 3.820 23.655 ( -0.180 -3.765 -4.998) 6.260 23.853 ( -1.451 -2.533 5.372) 6.114 24.471 ( 2.384 0.913 -4.771) 5.411 ======================= Grid point 106 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -1.053 23.405 -4.994) 23.955 1.391 ( 0.021 17.078 10.736) 20.172 1.814 ( -1.244 -0.929 -10.364) 10.479 1.961 ( -5.089 5.646 3.954) 8.568 2.198 ( 0.474 -8.888 4.804) 10.114 2.398 ( 1.736 12.170 -4.935) 13.247 2.667 ( -1.298 16.634 5.189) 17.473 2.746 ( -1.305 0.781 0.133) 1.526 2.956 ( 0.396 9.560 0.753) 9.598 2.996 ( 1.789 12.699 1.073) 12.869 3.182 ( -6.489 0.094 -2.709) 7.032 3.232 ( 5.481 0.684 -1.297) 5.674 3.579 ( -0.759 2.465 -1.716) 3.098 3.718 ( -3.765 4.205 3.661) 6.728 3.827 ( -0.108 -3.649 -0.002) 3.651 3.984 ( 0.043 4.623 6.270) 7.790 4.202 ( -1.526 10.635 1.673) 10.874 4.515 ( 1.243 1.362 -1.434) 2.335 4.542 ( 4.308 6.556 -6.038) 9.899 4.637 ( -2.936 9.722 -3.285) 10.674 4.905 ( -1.908 -0.048 -0.551) 1.986 5.092 ( 6.223 -1.521 -1.475) 6.574 5.658 ( -6.100 -3.257 -10.644) 12.693 5.854 ( 6.877 0.053 -7.151) 9.921 6.122 ( 0.292 -0.082 3.308) 3.321 6.198 ( -0.327 -4.662 4.639) 6.585 6.334 ( -0.447 -0.221 6.180) 6.200 6.574 ( 3.473 -13.314 4.959) 14.625 6.796 ( 8.172 -4.224 -7.938) 12.150 6.828 ( -0.831 0.749 0.785) 1.366 7.088 ( -5.466 -0.237 -6.955) 8.850 7.171 ( -8.515 -2.523 3.966) 9.726 7.283 ( 0.683 -3.853 3.623) 5.332 7.471 ( -2.651 0.664 8.703) 9.122 8.022 ( 5.101 -5.887 -12.104) 14.394 8.227 ( 5.705 3.298 -10.217) 12.158 8.379 ( -7.452 -2.826 4.582) 9.193 8.469 ( 2.870 1.279 4.195) 5.241 8.733 ( -0.327 -3.598 10.135) 10.760 8.999 ( -1.722 2.928 2.287) 4.095 9.135 ( -3.840 5.551 -1.299) 6.873 9.161 ( 3.526 8.014 1.048) 8.818 9.666 ( -3.896 4.199 1.582) 5.943 9.945 ( 1.954 1.570 -1.821) 3.098 10.504 ( 0.587 4.792 2.449) 5.413 10.798 ( -1.571 -4.321 -3.107) 5.549 11.458 ( -9.173 -3.350 6.169) 11.551 11.895 ( 2.636 -6.518 -3.883) 8.032 12.618 ( -0.360 6.206 0.601) 6.246 12.698 ( 1.679 6.218 0.514) 6.461 13.086 ( -4.431 -5.470 11.541) 13.518 13.782 ( -0.442 1.227 1.391) 1.907 13.933 ( 2.238 -0.610 -0.670) 2.414 14.003 ( -0.781 -3.011 3.071) 4.371 14.432 ( -1.238 2.020 -10.739) 10.997 14.517 ( 2.229 -0.899 -2.995) 3.840 14.609 ( -0.179 0.205 -0.821) 0.865 14.942 ( 3.063 4.161 -5.744) 7.726 15.327 ( 1.747 -4.249 11.943) 12.796 15.540 ( -2.184 1.537 5.270) 5.908 15.900 ( -2.450 -1.306 4.202) 5.036 16.626 ( -11.207 0.365 -9.487) 14.688 16.878 ( 15.365 2.322 0.992) 15.571 17.562 ( 1.818 -4.333 -12.177) 13.052 18.050 ( -2.269 -17.385 7.766) 19.175 18.555 ( 3.498 -5.512 0.156) 6.530 18.912 ( 4.051 -0.974 2.460) 4.839 19.239 ( -1.493 2.851 1.597) 3.592 19.707 ( 0.339 3.418 -2.860) 4.469 19.957 ( -8.426 -8.945 -5.986) 13.669 20.400 ( -2.631 6.205 5.525) 8.715 21.144 ( -0.152 3.701 -9.093) 9.819 21.598 ( 1.625 4.371 13.300) 14.094 22.508 ( 2.124 8.778 -5.709) 10.685 23.151 ( -0.714 2.541 2.360) 3.541 23.660 ( 0.450 -2.723 -7.791) 8.265 23.941 ( -0.540 -6.134 6.280) 8.795 24.439 ( 1.472 2.636 -6.064) 6.774 ======================= Grid point 107 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 2.242 22.212 -1.694) 22.390 1.234 ( -3.345 17.333 15.769) 23.670 1.716 ( -6.646 -1.204 -12.475) 14.186 1.814 ( -1.164 6.994 4.338) 8.312 2.153 ( 1.163 13.297 -3.116) 13.706 2.389 ( 0.604 0.888 -1.213) 1.620 2.498 ( 2.400 8.418 7.837) 11.749 2.634 ( -6.680 6.043 -0.417) 9.017 2.889 ( 1.006 3.683 1.748) 4.199 2.937 ( 4.250 4.348 2.415) 6.543 3.089 ( -2.630 1.250 -3.498) 4.551 3.290 ( 6.177 0.156 -0.485) 6.198 3.545 ( -3.700 1.951 2.735) 4.998 3.650 ( -0.478 0.678 1.787) 1.971 3.870 ( -5.034 -4.834 1.528) 7.145 3.918 ( -3.691 5.888 6.171) 9.294 4.103 ( 1.202 3.280 -0.290) 3.505 4.387 ( 3.210 13.022 -6.894) 15.080 4.508 ( 6.981 7.385 -4.217) 11.002 4.600 ( 6.691 0.357 -1.152) 6.799 4.919 ( 3.549 -0.561 -0.816) 3.685 5.182 ( 8.198 3.046 0.392) 8.754 5.547 ( -5.347 -2.452 -13.225) 14.474 5.869 ( 6.735 2.974 -8.227) 11.040 6.122 ( -3.860 -1.688 -0.363) 4.228 6.305 ( -3.306 -8.917 6.339) 11.429 6.336 ( -4.739 0.555 5.011) 6.919 6.777 ( -3.367 -0.469 -3.256) 4.708 6.843 ( 1.304 -9.630 4.763) 10.823 6.899 ( 6.405 -5.252 1.344) 8.391 6.997 ( -3.586 -3.404 -6.378) 8.070 7.142 ( -9.770 -5.469 5.826) 12.622 7.347 ( 1.209 -0.856 2.924) 3.278 7.479 ( -2.212 -0.885 4.047) 4.696 8.021 ( -3.339 3.163 -7.023) 8.395 8.206 ( 7.416 -3.474 -13.194) 15.529 8.371 ( -1.929 -0.006 5.934) 6.239 8.498 ( 1.518 2.664 2.350) 3.863 8.730 ( -11.107 2.974 6.636) 13.276 8.954 ( 1.202 3.045 0.516) 3.314 9.009 ( -0.712 5.406 -0.261) 5.459 9.209 ( 8.892 1.355 2.284) 9.280 9.560 ( -4.156 3.719 1.406) 5.751 9.927 ( -0.033 1.373 -1.515) 2.045 10.470 ( -0.228 3.318 4.779) 5.822 10.784 ( -4.494 -3.273 -5.920) 8.121 11.483 ( 1.520 -2.624 4.358) 5.309 12.024 ( 5.671 -7.500 -2.028) 9.618 12.532 ( -0.323 5.494 0.254) 5.509 12.629 ( -1.879 5.584 1.863) 6.179 13.174 ( -4.701 -6.765 9.429) 12.520 13.776 ( 0.166 1.746 1.279) 2.171 13.965 ( 2.653 -1.281 -1.713) 3.408 14.057 ( 0.732 -2.521 2.466) 3.602 14.326 ( -0.595 2.477 -8.615) 8.984 14.556 ( -0.795 -0.334 1.437) 1.676 14.602 ( 4.230 -2.633 -7.024) 8.612 14.927 ( 6.384 2.390 -4.047) 7.927 15.449 ( -2.873 -3.240 6.307) 7.651 15.538 ( -0.526 3.340 17.238) 17.566 15.899 ( -2.802 0.029 0.070) 2.803 16.323 ( -12.967 7.604 -8.494) 17.266 17.125 ( 19.407 1.103 1.221) 19.477 17.557 ( 0.458 -3.670 -11.557) 12.134 18.179 ( -10.766 -6.893 7.084) 14.615 18.620 ( -0.377 -0.466 1.985) 2.074 19.091 ( 0.984 -10.477 7.878) 13.145 19.238 ( 5.776 0.487 2.693) 6.391 19.631 ( 2.067 4.234 -5.389) 7.158 19.933 ( -9.029 -12.167 -9.189) 17.719 20.318 ( -6.421 2.673 5.615) 8.939 21.062 ( 2.368 1.387 -7.184) 7.690 21.489 ( -13.550 10.110 8.004) 18.705 22.480 ( 13.957 7.567 -5.186) 16.702 23.117 ( 1.131 4.283 2.535) 5.103 23.640 ( 1.816 -0.208 -9.943) 10.109 24.047 ( -1.150 -5.334 4.898) 7.333 24.368 ( 0.626 4.310 -4.849) 6.518 ======================= Grid point 111 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 18.506 -0.000 12.965) 22.596 1.666 ( 4.838 -0.000 -1.757) 5.147 1.970 ( 11.785 -0.000 1.410) 11.869 2.059 ( 12.453 -0.000 4.982) 13.413 2.113 ( 7.092 -0.000 -7.928) 10.637 2.221 ( -0.273 0.000 -5.485) 5.492 2.807 ( -2.506 0.000 -0.950) 2.680 2.965 ( 6.930 -0.000 5.625) 8.926 3.122 ( 8.592 -0.000 -6.828) 10.974 3.157 ( 2.917 -0.000 7.249) 7.814 3.222 ( -1.276 0.000 -1.006) 1.625 3.518 ( 2.067 -0.000 -0.042) 2.068 3.622 ( 8.841 -0.000 -2.073) 9.080 3.884 ( -3.523 0.000 6.251) 7.176 4.050 ( 9.283 -0.000 -0.705) 9.310 4.258 ( -3.013 0.000 -0.030) 3.013 4.315 ( -1.038 0.000 5.615) 5.710 4.481 ( 9.144 -0.000 -6.824) 11.409 4.640 ( 10.074 -0.000 6.722) 12.110 4.896 ( 3.195 -0.000 2.708) 4.188 5.159 ( -1.436 0.000 -2.939) 3.270 5.239 ( -1.788 0.000 -0.296) 1.812 5.532 ( 12.878 -0.000 -3.897) 13.455 5.743 ( 10.781 -0.000 -10.215) 14.852 5.845 ( -4.844 0.000 3.875) 6.204 6.043 ( -0.744 0.000 -1.275) 1.476 6.232 ( -5.413 0.000 -1.769) 5.695 6.233 ( -3.227 0.000 1.921) 3.756 6.775 ( -2.562 0.000 -0.322) 2.582 6.775 ( -4.759 0.000 -3.803) 6.092 7.250 ( -5.165 0.000 5.845) 7.800 7.349 ( -3.352 0.000 2.124) 3.968 7.394 ( 0.770 -0.000 -2.040) 2.181 7.638 ( -1.167 0.000 0.171) 1.180 7.856 ( 7.325 -0.000 -4.672) 8.688 8.008 ( -9.773 0.000 2.309) 10.042 8.207 ( -1.220 0.000 5.902) 6.027 8.373 ( 5.938 -0.000 -1.870) 6.225 8.670 ( -7.481 0.000 -5.231) 9.129 9.048 ( -0.943 0.000 5.691) 5.769 9.116 ( 10.847 -0.000 -0.046) 10.847 9.570 ( 2.548 -0.000 3.276) 4.150 9.706 ( -0.483 0.000 -1.501) 1.577 9.932 ( 9.171 -0.000 -7.246) 11.688 10.583 ( 6.717 -0.000 -0.877) 6.774 10.700 ( -1.519 0.000 6.041) 6.229 11.781 ( -6.789 0.000 0.794) 6.835 11.859 ( -13.556 0.000 -0.574) 13.568 12.317 ( 1.647 -0.000 9.442) 9.585 13.074 ( -1.374 0.000 -1.483) 2.022 13.081 ( 8.365 -0.000 4.065) 9.300 13.714 ( -4.284 0.000 1.065) 4.414 13.988 ( 0.026 -0.000 -1.940) 1.940 14.076 ( -7.396 0.000 -4.148) 8.480 14.364 ( 3.703 -0.000 1.091) 3.860 14.524 ( 3.464 -0.000 3.022) 4.596 14.892 ( 3.876 -0.000 -3.850) 5.463 15.014 ( 0.678 -0.000 -7.438) 7.469 15.299 ( -6.528 0.000 7.521) 9.958 15.472 ( -0.017 0.000 6.950) 6.950 15.998 ( -0.876 0.000 1.050) 1.368 16.027 ( -0.392 0.000 -1.487) 1.538 16.554 ( -6.082 0.000 2.228) 6.477 17.323 ( -2.446 0.000 -16.999) 17.174 17.976 ( -16.654 0.000 -4.169) 17.168 18.317 ( -4.369 0.000 6.108) 7.510 19.223 ( 5.209 -0.000 -2.310) 5.698 19.322 ( 1.722 -0.000 10.022) 10.169 19.702 ( 3.411 -0.000 8.243) 8.920 19.726 ( -4.452 0.000 -6.347) 7.753 20.754 ( 2.231 -0.000 -3.430) 4.092 21.044 ( 12.012 -0.000 7.474) 14.147 21.634 ( 0.647 -0.000 -10.086) 10.107 22.523 ( 10.150 -0.000 6.207) 11.897 23.265 ( -4.241 0.000 -7.917) 8.981 23.437 ( -0.815 0.000 3.331) 3.429 23.995 ( -4.684 0.000 1.223) 4.841 24.418 ( 3.025 -0.000 -1.003) 3.186 ======================= Grid point 112 (51/140) ======================= q-point: ( 0.44 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.391 3.917 -4.471) 6.843 1.850 ( 11.912 5.797 9.254) 16.160 2.072 ( 4.727 2.578 2.768) 6.054 2.102 ( -0.945 1.519 -4.219) 4.583 2.247 ( 17.518 3.799 -0.516) 17.933 2.305 ( 9.557 -5.141 0.273) 10.855 2.760 ( -2.496 0.841 -2.206) 3.436 3.027 ( -0.138 -0.244 2.096) 2.114 3.148 ( 4.575 1.516 -7.399) 8.831 3.194 ( 4.192 3.670 2.676) 6.181 3.286 ( 5.499 -2.095 3.401) 6.797 3.499 ( -1.242 3.372 -0.475) 3.625 3.712 ( 7.543 1.106 -1.568) 7.783 3.873 ( -1.857 1.625 5.097) 5.663 4.038 ( 3.230 10.009 -0.312) 10.522 4.224 ( -4.402 3.160 1.167) 5.543 4.353 ( -2.000 -8.562 0.693) 8.820 4.545 ( 8.442 2.524 -5.845) 10.574 4.769 ( 6.895 0.528 1.303) 7.037 4.940 ( 1.477 -2.429 -6.154) 6.779 5.124 ( -4.415 5.350 5.823) 9.056 5.259 ( 0.243 -4.040 3.991) 5.684 5.559 ( -3.484 2.352 -2.241) 4.764 5.737 ( 3.636 3.612 0.408) 5.141 5.944 ( 0.567 -8.592 -6.022) 10.508 6.026 ( 2.397 -3.514 -1.199) 4.420 6.195 ( 3.065 2.930 2.375) 4.860 6.299 ( 9.544 -0.853 3.293) 10.132 6.598 ( -3.290 7.185 -6.808) 10.430 6.801 ( -4.649 -5.605 -0.994) 7.350 7.188 ( -3.251 3.923 6.121) 7.964 7.302 ( -5.053 0.021 -1.026) 5.156 7.410 ( 0.182 1.342 -1.546) 2.055 7.584 ( -1.492 5.212 4.637) 7.134 7.894 ( -4.950 -0.212 2.018) 5.350 7.978 ( 5.944 -5.642 -5.816) 10.049 8.208 ( -2.442 -2.537 -1.730) 3.923 8.476 ( 3.953 -1.330 6.675) 7.871 8.543 ( -6.023 0.393 -3.436) 6.946 9.067 ( -1.195 0.531 6.206) 6.342 9.230 ( 7.207 0.694 0.237) 7.244 9.587 ( 1.073 4.088 1.052) 4.355 9.719 ( 1.095 -2.378 -0.086) 2.620 9.983 ( 7.815 1.830 -6.575) 10.376 10.652 ( 5.107 2.626 -0.191) 5.746 10.708 ( -0.627 -0.231 4.357) 4.407 11.659 ( -9.791 2.451 0.570) 10.109 11.747 ( -8.265 -3.928 -0.424) 9.161 12.416 ( -1.411 -4.692 11.909) 12.877 13.019 ( 0.981 4.959 -2.307) 5.557 13.171 ( 3.810 3.018 2.976) 5.699 13.716 ( 1.421 -0.889 4.898) 5.177 13.949 ( -5.638 0.056 -4.326) 7.107 13.965 ( -4.884 -1.106 -1.943) 5.372 14.429 ( 3.006 -2.128 1.632) 4.028 14.558 ( 3.194 2.775 -0.630) 4.277 14.890 ( 2.681 4.248 -3.949) 6.389 14.996 ( 0.930 -1.767 -4.326) 4.764 15.247 ( -6.498 2.111 7.784) 10.357 15.484 ( 1.359 2.350 1.678) 3.192 15.958 ( -4.242 1.092 3.559) 5.644 16.110 ( 1.843 -10.363 -1.692) 10.661 16.572 ( -4.401 -10.991 -0.204) 11.841 17.227 ( 1.092 -2.577 -15.657) 15.905 17.781 ( -10.338 0.266 -2.705) 10.690 18.289 ( -4.690 -1.628 1.154) 5.097 19.243 ( 3.853 5.242 -2.831) 7.095 19.373 ( -1.294 0.007 6.111) 6.246 19.648 ( 0.459 0.873 -0.352) 1.047 19.816 ( 1.495 -2.591 5.232) 6.027 20.734 ( 2.640 4.642 -1.026) 5.437 21.224 ( 8.178 -0.972 4.281) 9.282 21.552 ( 1.097 4.128 -4.577) 6.260 22.730 ( 9.713 -4.513 5.984) 12.269 23.117 ( -6.644 3.166 -7.130) 10.248 23.481 ( -1.085 -4.710 1.082) 4.953 23.932 ( -4.162 1.873 1.370) 4.765 24.447 ( 2.318 -0.694 -2.409) 3.414 ======================= Grid point 113 (52/140) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 4.905 0.437 -3.617) 6.110 1.881 ( 2.517 10.221 7.528) 12.941 2.026 ( 0.166 5.476 -3.770) 6.650 2.042 ( 0.723 8.211 1.608) 8.398 2.356 ( 10.090 7.100 -0.242) 12.340 2.498 ( 6.726 -4.296 1.804) 8.182 2.702 ( -2.440 -0.436 -3.148) 4.006 3.044 ( -1.362 -3.621 0.420) 3.891 3.117 ( 2.317 4.294 -4.554) 6.675 3.222 ( 6.660 4.286 0.801) 7.960 3.365 ( -0.609 1.729 1.109) 2.143 3.404 ( 0.031 5.781 -0.070) 5.782 3.752 ( 3.978 2.658 -2.602) 5.447 3.848 ( -2.045 2.634 2.214) 4.002 3.926 ( -0.785 7.418 -1.787) 7.670 4.138 ( -0.860 4.748 5.398) 7.240 4.439 ( -1.652 -5.914 0.061) 6.140 4.575 ( 7.793 1.745 -5.326) 9.599 4.821 ( -2.405 -0.111 -4.491) 5.096 4.849 ( -2.519 7.116 -6.114) 9.714 5.002 ( 1.547 8.245 2.362) 8.715 5.262 ( -5.305 5.997 1.358) 8.121 5.504 ( -5.581 -6.414 4.029) 9.409 5.794 ( 3.475 -1.424 2.823) 4.698 5.971 ( 1.367 -3.046 0.718) 3.415 6.119 ( -1.637 -2.853 1.289) 3.533 6.262 ( 8.460 1.403 0.238) 8.579 6.457 ( 8.187 3.054 -1.800) 8.921 6.496 ( 4.953 -4.127 -5.527) 8.492 6.798 ( -4.007 -3.791 -0.389) 5.530 7.152 ( -3.848 1.025 5.027) 6.413 7.213 ( -3.782 2.721 -1.444) 4.878 7.331 ( -2.505 4.816 -2.625) 6.030 7.549 ( -0.829 4.423 8.687) 9.784 7.859 ( -2.500 -2.428 -2.876) 4.519 8.116 ( 8.433 -6.278 -7.980) 13.198 8.219 ( -3.825 -5.578 1.060) 6.846 8.456 ( -3.486 -1.755 -1.540) 4.196 8.596 ( 3.532 1.069 10.766) 11.381 9.075 ( -2.248 0.726 5.539) 6.022 9.279 ( 3.668 2.309 0.289) 4.344 9.510 ( -1.522 6.695 -0.084) 6.866 9.764 ( 0.951 -1.294 -0.091) 1.609 10.002 ( 5.835 2.820 -5.065) 8.225 10.632 ( -0.652 2.930 1.791) 3.496 10.749 ( 2.925 0.964 0.940) 3.220 11.518 ( -9.163 1.553 2.082) 9.524 11.718 ( -4.137 -4.086 -1.521) 6.011 12.545 ( -3.348 -7.859 11.960) 14.697 12.951 ( 3.405 7.127 -1.972) 8.141 13.140 ( -0.442 6.956 3.377) 7.745 13.803 ( 2.574 -0.953 3.945) 4.806 13.865 ( -2.927 -1.008 -1.277) 3.348 13.924 ( -3.309 -1.942 -1.376) 4.076 14.505 ( 1.335 -2.407 2.772) 3.907 14.531 ( 2.746 3.450 -4.674) 6.426 14.790 ( -0.720 7.591 -5.728) 9.537 15.022 ( 1.857 -1.992 -2.309) 3.570 15.190 ( -5.522 1.782 8.402) 10.211 15.498 ( 3.535 -0.040 -2.001) 4.063 15.918 ( -5.539 0.438 6.576) 8.609 16.296 ( 4.913 -13.063 -3.519) 14.393 16.684 ( -5.821 -14.603 -2.401) 15.903 17.241 ( 5.102 -7.250 -12.964) 15.705 17.689 ( -3.254 -0.618 0.685) 3.382 18.276 ( -2.193 -4.073 -1.739) 4.942 19.150 ( 1.284 8.311 -4.632) 9.601 19.370 ( -2.086 1.717 3.391) 4.336 19.688 ( 2.143 -1.229 3.761) 4.500 19.859 ( -2.762 -2.319 -0.162) 3.610 20.690 ( 1.902 6.923 1.738) 7.387 21.283 ( 0.880 0.446 -5.682) 5.767 21.564 ( 6.641 3.057 9.355) 11.873 22.873 ( 3.487 6.608 -1.796) 7.685 22.997 ( -3.928 -6.989 0.284) 8.023 23.534 ( -0.870 -5.193 -1.339) 5.433 23.871 ( -2.474 2.339 2.444) 4.191 24.462 ( 1.477 -0.980 -4.175) 4.536 ======================= Grid point 114 (53/140) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 4.145 -2.633 -2.157) 5.364 1.764 ( -3.422 12.167 7.618) 14.757 1.841 ( -4.620 13.135 -2.501) 14.146 1.997 ( 4.622 4.832 0.247) 6.691 2.284 ( -3.431 9.443 0.261) 10.050 2.566 ( 2.626 1.984 -1.350) 3.558 2.694 ( -2.507 -4.081 -3.105) 5.708 3.033 ( -0.422 8.757 0.886) 8.812 3.086 ( -1.135 -3.851 0.002) 4.015 3.226 ( -0.505 8.714 -0.546) 8.746 3.260 ( 2.988 2.067 -2.020) 4.157 3.350 ( 0.462 8.373 0.122) 8.386 3.678 ( -2.726 5.180 -4.967) 7.677 3.773 ( -4.707 1.332 -1.560) 5.135 3.850 ( -0.416 4.216 2.895) 5.131 4.126 ( 0.955 5.861 6.663) 8.925 4.470 ( -5.057 -1.653 0.527) 5.346 4.525 ( -7.111 8.080 -5.457) 12.068 4.643 ( 10.167 0.487 -5.132) 11.400 4.871 ( 4.301 2.214 -5.101) 7.030 4.950 ( 2.822 7.040 2.007) 7.845 5.103 ( -0.491 7.161 0.285) 7.183 5.537 ( -5.155 -5.245 -0.591) 7.378 5.852 ( 3.704 -0.190 -1.956) 4.193 6.089 ( 2.641 -4.809 7.342) 9.166 6.115 ( -3.504 -2.329 1.364) 4.422 6.311 ( 2.957 1.892 3.902) 5.248 6.466 ( 1.836 2.586 -2.069) 3.786 6.631 ( 4.182 -8.174 -5.203) 10.554 6.821 ( 1.274 -1.772 -0.109) 2.185 7.080 ( -4.375 0.538 -5.422) 6.988 7.148 ( -8.588 -0.342 4.478) 9.691 7.257 ( 4.232 4.071 0.280) 5.879 7.536 ( -1.977 3.581 8.950) 9.841 7.868 ( 3.070 -4.412 -9.022) 10.502 8.225 ( -5.170 -7.726 1.473) 9.412 8.261 ( 5.453 -2.101 -5.241) 7.850 8.472 ( 1.968 -1.751 0.470) 2.676 8.686 ( 1.475 0.789 13.741) 13.842 9.049 ( -4.744 1.197 3.686) 6.126 9.262 ( -0.684 3.804 -0.218) 3.871 9.398 ( 1.215 8.459 0.435) 8.557 9.757 ( -1.448 1.528 -0.973) 2.319 9.994 ( 2.741 2.647 -2.899) 4.788 10.607 ( 0.288 2.422 2.079) 3.205 10.740 ( -2.492 0.734 -1.050) 2.802 11.431 ( -3.747 1.250 3.623) 5.359 11.739 ( 0.499 -5.107 -3.035) 5.962 12.662 ( -3.312 -5.702 7.979) 10.352 12.893 ( 4.294 8.412 0.047) 9.444 13.050 ( -4.457 4.960 6.361) 9.215 13.785 ( -3.304 -1.037 -0.997) 3.604 13.928 ( 4.400 0.308 4.124) 6.038 13.933 ( 0.660 -2.851 0.082) 2.928 14.478 ( 2.009 2.724 -7.751) 8.458 14.555 ( -1.752 -0.351 3.034) 3.521 14.642 ( 0.157 5.367 -6.846) 8.700 15.033 ( 1.574 2.099 -2.548) 3.657 15.207 ( -1.440 -3.877 8.447) 9.405 15.535 ( 2.191 -0.804 -0.078) 2.335 15.891 ( -4.903 -0.014 7.220) 8.728 16.470 ( -2.725 -11.413 -7.841) 14.113 16.793 ( 4.583 -9.656 -2.104) 10.894 17.359 ( 5.062 -10.234 -12.569) 16.980 17.733 ( 1.631 -4.851 5.814) 7.746 18.339 ( 1.723 -8.184 -2.619) 8.764 19.039 ( 1.931 7.612 -1.418) 7.980 19.320 ( -2.771 2.796 1.107) 4.089 19.751 ( 2.574 0.194 2.919) 3.896 19.801 ( -8.788 -2.864 -5.441) 10.725 20.615 ( -0.466 8.626 4.073) 9.551 21.210 ( -2.689 1.330 -7.555) 8.129 21.690 ( 4.911 2.925 14.389) 15.483 22.721 ( -1.956 6.958 -6.783) 9.912 23.110 ( 1.503 -4.650 3.858) 6.226 23.578 ( 0.503 -4.243 -3.883) 5.774 23.852 ( -0.915 0.179 4.613) 4.706 24.457 ( 0.784 -0.734 -5.759) 5.858 ======================= Grid point 115 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -2.061 19.761 -4.951) 20.476 1.582 ( -6.891 9.256 2.597) 11.828 1.761 ( -2.341 4.040 3.388) 5.769 2.008 ( 0.481 5.857 -0.050) 5.877 2.123 ( -5.063 -1.327 3.493) 6.292 2.516 ( 0.371 5.401 -4.002) 6.732 2.671 ( -4.891 -2.347 -3.209) 6.303 2.877 ( -3.517 12.301 3.218) 13.192 3.065 ( -7.664 2.626 -3.071) 8.664 3.124 ( 3.268 6.706 1.491) 7.607 3.183 ( 2.176 10.090 0.335) 10.327 3.310 ( 4.081 1.027 -0.501) 4.238 3.570 ( -2.207 2.072 -0.818) 3.136 3.677 ( -6.023 1.053 -2.731) 6.697 3.811 ( -3.401 1.343 4.638) 5.906 4.061 ( -4.233 5.065 5.496) 8.590 4.250 ( -5.819 7.026 -4.516) 10.179 4.571 ( 6.741 -0.823 1.315) 6.917 4.701 ( 3.356 8.699 -5.383) 10.767 4.761 ( 5.361 3.534 -5.247) 8.292 4.947 ( 7.080 8.056 3.582) 11.307 5.146 ( 10.489 -3.020 -4.527) 11.816 5.506 ( -4.121 -1.139 -4.161) 5.966 5.883 ( 2.254 -1.088 -1.965) 3.182 6.119 ( -2.843 -3.428 0.897) 4.543 6.167 ( -1.195 1.674 3.864) 4.377 6.361 ( -3.040 -1.198 6.608) 7.372 6.476 ( 1.643 -7.469 -0.024) 7.647 6.707 ( -4.289 -5.760 -0.503) 7.199 6.858 ( 2.951 -0.853 -0.992) 3.228 6.973 ( -3.774 0.497 -11.325) 11.947 7.079 ( -6.323 0.344 6.140) 8.821 7.308 ( 5.000 -0.236 2.921) 5.795 7.517 ( -1.673 2.409 5.416) 6.160 7.931 ( 4.010 -5.841 -10.494) 12.661 8.210 ( -6.040 -1.369 -0.031) 6.193 8.323 ( 3.724 -1.409 -1.980) 4.446 8.532 ( 2.520 -0.989 2.093) 3.422 8.779 ( -0.857 0.678 13.505) 13.549 8.977 ( -5.203 0.924 2.031) 5.662 9.161 ( -2.494 5.898 -1.697) 6.624 9.350 ( 5.282 6.672 1.392) 8.622 9.679 ( -3.298 4.419 -0.817) 5.574 9.969 ( 0.094 1.772 -1.564) 2.365 10.576 ( -1.418 4.340 2.479) 5.195 10.687 ( -4.803 -2.936 -2.110) 6.012 11.444 ( 3.661 0.171 3.035) 4.758 11.834 ( 5.385 -6.587 -3.100) 9.055 12.677 ( -2.018 3.020 1.948) 4.122 12.824 ( 1.884 9.042 1.391) 9.341 13.015 ( -7.639 -3.677 10.733) 13.677 13.774 ( -1.638 -1.859 1.374) 2.833 13.968 ( 0.911 1.884 2.647) 3.374 14.014 ( 5.801 -1.965 0.502) 6.146 14.395 ( 0.343 2.788 -10.720) 11.082 14.516 ( 0.959 1.025 -2.895) 3.217 14.614 ( 0.823 0.575 -0.496) 1.119 15.005 ( 2.596 3.339 -1.191) 4.394 15.317 ( -0.266 -6.339 4.434) 7.740 15.577 ( 0.305 -0.472 7.293) 7.315 15.885 ( -3.253 -0.638 5.547) 6.463 16.394 ( -12.823 -2.784 -8.852) 15.828 17.058 ( 18.508 -7.439 -3.172) 20.198 17.441 ( 3.101 -6.478 -12.528) 14.441 17.907 ( 1.563 -9.855 7.907) 12.731 18.479 ( 2.097 -9.719 -2.233) 10.190 19.001 ( 2.014 3.404 4.003) 5.627 19.276 ( 2.258 1.281 -0.188) 2.603 19.640 ( -12.655 -1.935 -9.496) 15.940 19.790 ( 0.988 0.833 1.798) 2.214 20.499 ( -3.907 9.236 5.800) 11.585 21.109 ( -2.688 1.448 -6.753) 7.411 21.702 ( -8.249 6.527 11.662) 15.705 22.635 ( 7.615 4.334 -5.305) 10.243 23.178 ( 0.515 -0.691 2.738) 2.871 23.609 ( 2.917 -1.704 -5.762) 6.679 23.900 ( -1.019 -3.910 6.000) 7.234 24.430 ( 0.289 0.319 -6.246) 6.261 ======================= Grid point 116 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 1.489 18.956 -2.609) 19.193 1.384 ( -9.111 8.106 2.902) 12.535 1.622 ( -6.161 7.225 0.471) 9.507 1.908 ( 2.406 7.136 2.391) 7.901 2.185 ( -2.069 -4.454 1.242) 5.066 2.423 ( -1.000 3.484 -4.529) 5.801 2.571 ( -5.837 4.579 -0.596) 7.442 2.758 ( 2.319 5.364 6.430) 8.689 2.826 ( -12.357 5.473 -4.561) 14.263 3.096 ( 4.146 6.603 2.776) 8.276 3.168 ( 6.532 5.142 -0.470) 8.327 3.345 ( 1.997 -0.301 -0.321) 2.045 3.545 ( -2.126 2.046 1.935) 3.528 3.602 ( -3.276 -4.129 0.754) 5.324 3.793 ( -3.192 -1.089 3.912) 5.165 3.977 ( -4.750 4.461 6.522) 9.219 4.132 ( 0.681 2.296 -2.136) 3.209 4.516 ( 0.862 8.898 -8.516) 12.347 4.697 ( 12.640 2.865 -1.228) 13.019 4.807 ( 13.764 10.410 -2.034) 17.376 4.960 ( 3.612 1.245 2.749) 4.707 5.305 ( 10.834 -3.856 -6.769) 13.344 5.413 ( -3.268 3.651 -5.576) 7.423 5.904 ( 0.237 -0.900 -1.690) 1.929 6.077 ( -5.427 2.870 0.468) 6.157 6.176 ( -2.984 -5.458 2.334) 6.643 6.310 ( -7.579 0.762 2.695) 8.080 6.627 ( -3.772 -9.306 -6.098) 11.748 6.761 ( 0.852 -9.853 8.279) 12.898 6.836 ( -4.814 0.442 -8.435) 9.723 6.900 ( -3.097 -3.541 0.130) 4.706 7.073 ( -0.444 -0.742 7.277) 7.329 7.401 ( 6.047 -0.098 1.795) 6.308 7.493 ( -1.381 1.565 2.137) 2.987 7.925 ( -6.469 -1.431 -5.267) 8.464 8.182 ( 4.755 -1.183 -7.633) 9.070 8.377 ( 0.433 -2.663 3.114) 4.121 8.563 ( 1.384 1.798 0.896) 2.440 8.717 ( -8.275 7.683 6.956) 13.262 8.993 ( 1.139 -2.222 2.247) 3.360 9.060 ( 0.451 5.111 -1.073) 5.242 9.350 ( 2.459 3.441 3.561) 5.529 9.585 ( 0.701 4.460 -0.975) 4.619 9.927 ( -1.781 1.559 -1.664) 2.893 10.514 ( -3.069 1.794 3.116) 4.727 10.669 ( -2.455 -2.034 -1.884) 3.703 11.540 ( 7.320 -1.505 1.602) 7.643 11.999 ( 7.605 -7.217 -1.130) 10.545 12.594 ( -1.579 5.365 0.093) 5.593 12.713 ( -1.903 9.184 1.753) 9.541 13.066 ( -7.263 -7.409 10.236) 14.574 13.797 ( -0.500 -0.492 2.143) 2.255 13.945 ( -0.908 0.111 -1.076) 1.413 14.109 ( 6.790 0.636 0.157) 6.822 14.322 ( 2.149 2.204 -7.508) 8.114 14.533 ( 1.432 -3.072 -1.769) 3.823 14.605 ( 1.570 1.626 -2.063) 3.060 15.007 ( 4.472 1.974 -0.970) 4.983 15.383 ( -2.688 -4.417 0.025) 5.171 15.660 ( -0.738 -0.476 17.161) 17.183 15.874 ( -3.290 0.692 1.554) 3.704 16.188 ( -9.656 1.967 -8.006) 12.697 17.327 ( 12.969 -4.171 -3.246) 14.005 17.466 ( 5.038 -0.556 -13.375) 14.304 18.075 ( 0.571 -5.899 7.426) 9.501 18.591 ( 0.483 -5.693 2.053) 6.072 19.030 ( -1.408 -5.298 1.723) 5.746 19.296 ( -8.631 4.495 1.899) 9.915 19.543 ( 4.314 -12.553 -7.123) 15.064 19.772 ( 0.502 4.008 -0.530) 4.073 20.352 ( -7.207 7.920 6.703) 12.633 21.045 ( 0.671 -0.466 -5.664) 5.723 21.476 ( -15.746 9.897 5.626) 19.430 22.700 ( 12.054 3.821 -2.834) 12.959 23.181 ( 0.011 2.174 1.764) 2.799 23.628 ( 4.446 0.251 -6.242) 7.668 23.984 ( -2.074 -5.638 5.032) 7.837 24.385 ( 0.410 1.716 -4.614) 4.940 ======================= Grid point 121 (56/140) ======================= q-point: ( 0.44 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 1.624 -0.000 -5.909) 6.128 2.019 ( 1.447 -0.000 -0.682) 1.600 2.093 ( 4.772 -0.000 -0.384) 4.787 2.210 ( 2.137 -0.000 7.974) 8.255 2.362 ( 6.719 -0.000 1.675) 6.924 2.462 ( 13.763 -0.000 -3.260) 14.144 2.719 ( -3.349 0.000 -1.321) 3.600 2.985 ( -3.698 0.000 -0.068) 3.699 3.153 ( 3.394 -0.000 -9.256) 9.859 3.298 ( 0.987 -0.000 5.605) 5.692 3.378 ( 8.279 -0.000 2.496) 8.647 3.474 ( -4.438 0.000 -0.882) 4.525 3.789 ( 5.327 -0.000 -2.167) 5.751 3.892 ( -2.538 0.000 3.078) 3.990 4.110 ( -2.273 0.000 -8.360) 8.663 4.183 ( -3.099 0.000 1.090) 3.285 4.282 ( 0.595 -0.000 6.224) 6.252 4.643 ( 7.797 -0.000 -6.421) 10.100 4.789 ( -0.878 0.000 -9.730) 9.770 4.884 ( 1.851 -0.000 -6.110) 6.384 5.204 ( -4.172 0.000 7.205) 8.325 5.327 ( 8.083 -0.000 15.014) 17.052 5.488 ( -10.209 0.000 -2.277) 10.460 5.777 ( -1.498 0.000 4.719) 4.951 5.850 ( 2.364 -0.000 -3.347) 4.097 6.046 ( 5.721 -0.000 -1.765) 5.987 6.288 ( 8.895 -0.000 -0.371) 8.903 6.459 ( 6.929 -0.000 4.686) 8.365 6.582 ( -6.145 0.000 -5.060) 7.960 6.662 ( 0.220 -0.000 -4.918) 4.923 7.193 ( -5.414 0.000 5.969) 8.058 7.205 ( -6.419 0.000 -2.867) 7.030 7.483 ( 4.742 -0.000 0.291) 4.751 7.628 ( -1.915 0.000 6.211) 6.499 7.836 ( -5.923 0.000 4.554) 7.471 7.975 ( 7.109 -0.000 -8.004) 10.705 8.131 ( -3.285 0.000 -4.837) 5.847 8.421 ( -3.931 0.000 -1.873) 4.354 8.619 ( 4.864 -0.000 10.866) 11.905 9.079 ( -3.302 0.000 6.379) 7.182 9.309 ( 3.872 -0.000 0.238) 3.880 9.655 ( 1.107 -0.000 -0.187) 1.122 9.691 ( 0.056 -0.000 -0.081) 0.098 10.048 ( 7.161 -0.000 -6.938) 9.971 10.685 ( -4.027 0.000 4.309) 5.898 10.761 ( 6.133 -0.000 -1.346) 6.279 11.563 ( -7.748 0.000 0.103) 7.748 11.648 ( -2.916 0.000 -0.855) 3.039 12.414 ( -6.716 0.000 15.625) 17.008 13.061 ( 3.362 -0.000 -1.784) 3.806 13.250 ( 1.888 -0.000 1.084) 2.178 13.782 ( 1.305 -0.000 5.977) 6.118 13.853 ( -4.158 0.000 1.468) 4.410 13.890 ( -1.811 0.000 -5.719) 5.999 14.456 ( 1.959 -0.000 1.906) 2.734 14.607 ( 1.636 -0.000 -1.803) 2.434 14.932 ( 0.583 -0.000 -3.204) 3.256 14.954 ( 1.460 -0.000 -6.393) 6.557 15.247 ( -3.696 0.000 6.928) 7.852 15.521 ( -1.720 0.000 4.523) 4.839 15.948 ( -1.215 0.000 -2.926) 3.168 16.004 ( -0.277 0.000 -0.362) 0.456 16.465 ( -2.664 0.000 0.904) 2.813 17.152 ( 5.003 -0.000 -14.787) 15.610 17.685 ( -3.644 0.000 -0.005) 3.644 18.223 ( -3.761 0.000 -1.162) 3.936 19.282 ( 1.329 -0.000 -8.256) 8.362 19.380 ( -3.126 0.000 5.750) 6.544 19.674 ( 2.464 -0.000 5.365) 5.904 19.828 ( -1.550 0.000 -0.114) 1.555 20.790 ( 2.234 -0.000 0.282) 2.251 21.284 ( 0.839 -0.000 -3.872) 3.961 21.613 ( 4.921 -0.000 7.732) 9.165 22.859 ( 5.125 -0.000 6.214) 8.055 23.011 ( -2.581 0.000 -8.655) 9.031 23.441 ( -1.673 0.000 0.850) 1.877 23.909 ( -2.674 0.000 1.547) 3.089 24.445 ( 1.259 -0.000 -3.936) 4.132 ======================= Grid point 122 (57/140) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 1.483 -0.312 -5.771) 5.966 1.981 ( -3.129 3.197 -1.146) 4.618 2.102 ( 1.375 4.421 -1.296) 4.808 2.184 ( -1.042 7.985 6.682) 10.464 2.469 ( 0.433 -2.254 0.718) 2.405 2.538 ( 1.011 2.301 0.948) 2.687 2.654 ( -1.003 1.299 -3.588) 3.945 2.979 ( -0.772 -3.270 0.032) 3.360 3.129 ( 1.235 0.060 -7.440) 7.542 3.285 ( -6.266 0.578 1.953) 6.589 3.402 ( 2.687 4.741 -0.172) 5.452 3.479 ( 2.244 0.842 2.429) 3.412 3.807 ( -0.402 3.306 -3.840) 5.083 3.832 ( -1.563 1.638 -0.940) 2.451 3.992 ( -1.060 7.290 -1.395) 7.497 4.207 ( 1.670 -2.742 3.820) 4.990 4.336 ( -2.905 -3.847 1.328) 5.000 4.633 ( -0.385 2.715 -12.592) 12.887 4.689 ( -2.443 0.879 -7.094) 7.554 4.868 ( 1.814 -0.099 -7.306) 7.529 5.173 ( -1.603 4.658 7.471) 8.949 5.328 ( -6.610 3.285 3.395) 8.125 5.481 ( 7.805 5.594 8.936) 13.117 5.817 ( 1.293 -0.603 4.684) 4.897 5.956 ( 4.959 -6.864 3.059) 9.004 6.092 ( -0.688 -0.410 1.454) 1.660 6.381 ( -1.224 2.253 0.098) 2.566 6.437 ( 5.567 -2.533 -6.262) 8.753 6.500 ( -4.712 -1.593 -3.378) 6.013 6.764 ( 9.148 -1.664 1.273) 9.385 7.095 ( -6.258 0.200 -6.018) 8.685 7.154 ( -6.182 0.500 5.351) 8.192 7.464 ( 2.843 8.153 0.901) 8.681 7.638 ( -0.751 3.481 7.964) 8.724 7.817 ( -0.365 0.416 0.899) 1.056 8.027 ( 0.148 -6.610 -8.368) 10.665 8.117 ( 0.129 -6.028 -0.516) 6.051 8.418 ( 3.125 -1.541 -2.347) 4.201 8.733 ( 2.526 1.498 13.883) 14.190 9.064 ( -5.078 0.073 6.039) 7.891 9.328 ( 0.323 1.258 0.110) 1.303 9.588 ( -0.936 5.786 -1.026) 5.950 9.729 ( -0.530 -2.947 -0.744) 3.086 10.071 ( 4.861 2.111 -5.998) 8.004 10.653 ( -2.770 1.278 3.608) 4.725 10.785 ( -0.221 1.261 -1.764) 2.180 11.497 ( -0.347 2.584 1.417) 2.967 11.638 ( -0.061 -2.255 -1.967) 2.993 12.456 ( -7.822 -6.246 15.240) 18.234 13.088 ( 5.887 4.826 1.462) 7.752 13.215 ( -2.696 4.737 0.257) 5.457 13.740 ( -6.300 -1.880 0.432) 6.589 13.858 ( 1.025 -1.897 -5.872) 6.256 13.948 ( 7.002 0.847 9.386) 11.741 14.501 ( 0.378 -2.063 3.149) 3.784 14.573 ( -0.136 2.853 -4.908) 5.679 14.825 ( -1.155 6.832 -7.765) 10.407 14.993 ( 1.615 -4.596 -3.662) 6.094 15.222 ( -2.993 4.135 7.853) 9.366 15.525 ( -0.098 -0.463 2.061) 2.115 15.894 ( -2.881 1.318 1.591) 3.546 16.108 ( 0.739 -12.608 -4.311) 13.345 16.502 ( 0.043 -8.307 -0.738) 8.339 17.172 ( 7.898 -3.241 -12.459) 15.104 17.692 ( 2.856 -0.031 3.063) 4.188 18.188 ( -1.917 -2.966 -3.855) 5.228 19.210 ( 0.666 4.178 -6.169) 7.481 19.361 ( -4.108 0.239 2.381) 4.755 19.752 ( 1.052 0.418 5.050) 5.175 19.768 ( -3.836 -0.618 -2.900) 4.848 20.797 ( 1.502 4.139 2.603) 5.115 21.222 ( -4.159 -0.074 -6.560) 7.767 21.755 ( 6.902 1.674 14.152) 15.834 22.792 ( -10.247 -1.605 -7.503) 12.801 23.071 ( 10.140 2.772 4.688) 11.510 23.445 ( -1.709 -4.573 -1.791) 5.201 23.891 ( -0.459 1.371 2.436) 2.832 24.431 ( 0.326 -0.762 -5.460) 5.523 ======================= Grid point 123 (58/140) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -0.502 -3.431 -2.475) 4.261 1.836 ( -10.006 5.910 2.912) 11.980 1.963 ( -2.887 11.705 -2.370) 12.286 2.154 ( 4.363 5.672 4.028) 8.212 2.321 ( -10.479 9.425 -0.208) 14.096 2.520 ( -7.841 -3.231 2.426) 8.821 2.634 ( 2.646 0.761 -7.586) 8.070 3.009 ( -3.931 -3.187 1.298) 5.225 3.099 ( -0.083 2.257 -1.145) 2.532 3.199 ( -4.539 -0.461 -2.953) 5.435 3.379 ( 2.708 4.872 -0.400) 5.588 3.441 ( -2.047 6.105 0.647) 6.471 3.689 ( -1.872 5.639 -2.593) 6.482 3.768 ( -0.881 5.912 -3.270) 6.813 3.889 ( -6.049 4.226 4.359) 8.571 4.218 ( -3.734 5.787 2.309) 7.264 4.377 ( -3.166 -1.500 -3.284) 4.801 4.455 ( -0.669 -5.152 -8.815) 10.232 4.691 ( 3.791 -1.397 -2.114) 4.560 4.831 ( -0.952 0.062 -8.580) 8.633 5.130 ( 1.492 5.987 3.935) 7.318 5.322 ( 8.567 4.972 3.683) 10.568 5.504 ( 2.876 6.548 5.529) 9.040 5.871 ( 0.855 -0.026 3.271) 3.381 6.056 ( -2.715 -1.543 -2.049) 3.735 6.089 ( 1.176 -2.430 2.976) 4.018 6.372 ( -3.694 -2.740 7.232) 8.571 6.406 ( -9.844 -3.857 -1.010) 10.620 6.553 ( 8.792 -0.988 -6.560) 11.014 6.868 ( 2.863 1.085 3.100) 4.357 6.983 ( -0.476 0.164 -11.847) 11.858 7.099 ( -5.856 0.769 5.100) 7.804 7.424 ( 6.020 7.584 3.016) 10.142 7.588 ( -3.932 4.021 4.002) 6.902 7.830 ( 3.767 -1.220 -5.269) 6.591 8.063 ( -5.649 -7.053 3.696) 9.763 8.252 ( 5.783 -7.296 -3.284) 9.872 8.472 ( 3.401 -1.736 -2.589) 4.613 8.816 ( 0.973 2.233 15.013) 15.209 9.021 ( -5.651 1.662 5.235) 7.880 9.284 ( -2.558 3.051 -0.281) 3.991 9.497 ( -1.219 4.421 -1.064) 4.708 9.734 ( -0.928 -0.359 -1.363) 1.688 10.041 ( 1.327 3.386 -3.983) 5.393 10.636 ( -1.582 0.293 2.687) 3.132 10.701 ( -5.753 3.294 -1.354) 6.766 11.500 ( 5.294 3.671 2.026) 6.754 11.690 ( 4.555 -4.077 -2.693) 6.680 12.561 ( -5.866 -8.917 12.444) 16.394 13.079 ( 2.348 8.545 3.324) 9.464 13.084 ( -4.705 6.700 1.589) 8.340 13.711 ( -3.652 -2.427 1.041) 4.507 13.912 ( 5.257 -4.682 -3.058) 7.675 14.054 ( 5.462 3.705 7.332) 9.865 14.480 ( -1.733 3.307 -7.724) 8.579 14.546 ( -1.791 -1.466 4.772) 5.303 14.680 ( 2.261 6.020 -9.280) 11.290 15.061 ( 3.495 -3.211 -3.356) 5.813 15.182 ( -3.794 1.182 7.219) 8.241 15.553 ( 0.158 -1.151 3.031) 3.245 15.867 ( -3.121 -0.414 3.445) 4.667 16.208 ( -5.179 -9.718 -6.740) 12.911 16.707 ( 8.893 -16.578 -2.949) 19.042 17.263 ( 7.865 -4.984 -10.845) 14.294 17.783 ( 6.706 -0.517 5.497) 8.686 18.222 ( 0.699 -8.149 -5.883) 10.075 19.137 ( 0.440 5.335 -0.393) 5.368 19.305 ( -2.690 0.501 -2.125) 3.464 19.633 ( -9.278 0.808 -4.240) 10.233 19.826 ( 3.297 1.298 4.808) 5.973 20.741 ( -1.474 8.051 4.512) 9.346 21.124 ( -5.241 -0.377 -6.062) 8.023 21.855 ( -0.717 5.178 13.942) 14.889 22.668 ( -3.798 -2.650 -7.909) 9.166 23.156 ( 3.771 1.795 4.291) 5.988 23.507 ( 2.554 -6.093 -3.096) 7.296 23.890 ( 0.406 1.909 3.773) 4.248 24.409 ( -0.109 -1.287 -6.436) 6.565 ======================= Grid point 124 (59/140) ======================= q-point: (-0.22 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -8.374 8.167 -1.022) 11.742 1.658 ( -9.880 7.583 2.675) 12.739 1.805 ( -2.683 4.015 0.794) 4.894 2.077 ( -8.662 4.456 2.924) 10.170 2.155 ( 4.172 7.737 3.243) 9.369 2.447 ( -8.937 -1.336 -0.438) 9.046 2.587 ( -1.006 -0.529 -9.551) 9.619 2.916 ( -10.569 6.139 2.909) 12.564 3.033 ( -3.376 4.343 -0.723) 5.548 3.177 ( -0.439 -2.399 -2.764) 3.687 3.311 ( 0.675 6.887 -1.188) 7.021 3.353 ( -1.071 2.200 2.538) 3.525 3.611 ( 1.097 5.041 1.062) 5.267 3.642 ( -3.142 5.696 -2.371) 6.924 3.778 ( -7.837 0.366 2.676) 8.289 4.095 ( -3.814 5.201 1.578) 6.640 4.237 ( -3.206 4.124 -6.210) 8.115 4.615 ( 4.234 -5.258 0.704) 6.787 4.738 ( 0.644 -0.265 -6.520) 6.557 4.791 ( 5.004 -4.059 -1.653) 6.652 5.137 ( 7.673 2.758 -2.172) 8.438 5.365 ( 11.776 13.112 1.427) 17.682 5.487 ( 0.813 1.588 2.214) 2.843 5.862 ( -3.483 -0.082 2.647) 4.375 6.063 ( -0.143 -3.308 -2.191) 3.970 6.110 ( -6.945 -3.386 2.556) 8.138 6.328 ( -9.629 0.069 3.665) 10.303 6.406 ( 1.690 -2.538 -1.305) 3.317 6.619 ( 1.504 -3.049 2.357) 4.137 6.845 ( -2.785 -0.431 -4.127) 4.997 6.929 ( 3.432 4.860 -8.474) 10.354 7.072 ( -3.245 -0.290 7.103) 7.814 7.430 ( 5.997 5.149 1.500) 8.045 7.538 ( -1.341 0.543 1.875) 2.368 7.852 ( 0.226 -2.121 -5.750) 6.133 8.115 ( -2.856 -5.063 4.706) 7.479 8.347 ( 4.166 -0.733 -5.141) 6.658 8.531 ( 1.167 -3.916 1.721) 4.434 8.876 ( -1.984 3.483 12.993) 13.597 8.953 ( -2.985 1.566 2.890) 4.440 9.193 ( -2.371 4.492 -1.407) 5.270 9.430 ( -2.498 1.924 0.101) 3.154 9.707 ( 0.999 2.974 -1.194) 3.357 9.976 ( -1.921 2.865 -2.023) 3.999 10.560 ( -7.265 1.525 -1.474) 7.568 10.648 ( 0.157 0.812 3.141) 3.248 11.550 ( 7.366 2.482 1.352) 7.890 11.826 ( 8.760 -5.569 -2.118) 10.594 12.664 ( -3.059 -4.135 7.437) 9.042 12.938 ( -9.963 1.317 5.344) 11.383 12.993 ( 0.748 11.424 2.802) 11.786 13.724 ( -1.422 -2.976 1.891) 3.802 14.051 ( 4.270 -0.516 -2.590) 5.021 14.067 ( 4.553 2.003 6.381) 8.091 14.374 ( 0.571 2.264 -9.505) 9.788 14.534 ( -0.832 2.138 0.765) 2.418 14.640 ( 3.313 1.319 -3.266) 4.836 15.085 ( 2.302 3.665 1.862) 4.711 15.215 ( -1.635 -7.620 -2.273) 8.118 15.606 ( -1.093 -2.658 9.379) 9.809 15.862 ( -2.609 -1.057 2.723) 3.917 16.161 ( -7.802 -3.720 -7.573) 11.492 17.078 ( 14.493 -18.106 -5.874) 23.925 17.342 ( 4.973 -4.290 -9.101) 11.223 17.941 ( 9.595 -2.491 6.014) 11.595 18.334 ( 1.342 -11.566 -6.118) 13.153 19.027 ( -7.161 3.817 -3.572) 8.866 19.334 ( 8.027 -2.257 1.010) 8.400 19.461 ( -10.888 4.599 0.790) 11.846 19.861 ( 3.006 2.608 1.953) 4.433 20.601 ( -6.590 9.978 5.774) 13.279 21.041 ( -3.081 -0.491 -5.068) 5.952 21.727 ( -13.360 9.632 7.939) 18.284 22.701 ( 6.178 -4.292 -4.032) 8.534 23.189 ( 0.198 -0.291 2.707) 2.729 23.609 ( 6.184 -3.242 -3.938) 8.017 23.896 ( -1.010 0.456 5.035) 5.156 24.386 ( 0.001 -1.244 -6.172) 6.296 ======================= Grid point 125 (60/140) ======================= q-point: (-0.11 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -6.151 6.755 1.515) 9.261 1.444 ( -3.527 10.925 0.140) 11.481 1.656 ( -8.135 7.934 4.015) 12.052 2.049 ( -2.737 -2.260 3.556) 5.025 2.119 ( 2.754 5.779 2.438) 6.850 2.350 ( -5.345 -1.116 -4.795) 7.267 2.522 ( -4.643 -2.366 -6.246) 8.134 2.701 ( -9.505 7.119 3.574) 12.402 2.905 ( -1.864 5.853 2.163) 6.513 3.171 ( -1.865 -0.290 -1.841) 2.637 3.273 ( 2.745 2.874 -1.202) 4.152 3.355 ( 0.277 0.566 1.406) 1.541 3.536 ( -3.669 1.479 1.505) 4.233 3.583 ( 0.849 2.893 2.273) 3.776 3.760 ( -0.942 -4.035 1.340) 4.355 4.000 ( -5.327 3.796 3.853) 7.591 4.151 ( -0.004 0.711 -2.263) 2.372 4.578 ( 2.540 5.466 -8.304) 10.260 4.839 ( 5.567 -4.161 2.567) 7.409 4.941 ( 9.546 -4.690 -1.235) 10.707 5.173 ( 6.202 7.320 1.523) 9.714 5.316 ( 6.234 6.223 -6.290) 10.823 5.490 ( 4.121 3.972 -1.574) 5.936 5.849 ( -3.994 -1.634 3.639) 5.645 6.033 ( -9.336 1.910 1.823) 9.702 6.084 ( -4.572 -4.463 0.524) 6.410 6.222 ( -4.624 0.300 -1.062) 4.754 6.459 ( 0.869 -5.960 -6.131) 8.594 6.709 ( -0.581 1.643 -5.310) 5.589 6.784 ( 2.226 -3.762 1.788) 4.723 6.839 ( -4.569 2.307 1.521) 5.340 7.123 ( 1.481 -1.527 8.532) 8.794 7.454 ( 1.310 -1.228 -2.427) 3.019 7.542 ( 3.523 3.742 2.778) 5.842 7.801 ( -6.330 -0.243 -2.499) 6.810 8.185 ( 3.954 -2.975 -1.969) 5.326 8.354 ( 0.034 -0.936 -2.091) 2.292 8.589 ( 0.375 -0.757 1.662) 1.865 8.780 ( -6.223 8.276 6.025) 11.980 8.978 ( -0.065 -1.664 1.026) 1.956 9.120 ( 0.336 2.668 -0.091) 2.691 9.381 ( -3.721 0.884 3.388) 5.109 9.683 ( 4.808 4.318 -1.047) 6.547 9.898 ( -3.984 1.376 -1.984) 4.659 10.476 ( -4.024 -0.550 0.129) 4.064 10.661 ( 0.093 0.727 3.102) 3.187 11.632 ( 7.100 0.418 1.426) 7.254 12.012 ( 9.029 -5.984 -0.676) 10.853 12.636 ( -2.308 4.817 -0.055) 5.342 12.831 ( -4.798 10.740 3.750) 12.346 12.930 ( -6.966 -7.159 8.945) 13.408 13.771 ( -0.202 -3.353 1.766) 3.795 13.967 ( -1.371 5.633 -1.373) 5.958 14.214 ( 7.207 -0.275 3.346) 7.951 14.327 ( 2.456 0.401 -7.287) 7.700 14.514 ( 0.673 -0.020 -1.175) 1.354 14.641 ( 2.048 1.824 -1.721) 3.238 15.081 ( 1.654 2.452 2.703) 4.007 15.265 ( -1.191 -6.521 -6.833) 9.520 15.703 ( -4.112 -3.406 14.672) 15.613 15.846 ( -2.812 -0.214 0.708) 2.907 16.067 ( -2.948 -0.639 -6.070) 6.778 17.325 ( 5.907 -3.942 -8.070) 10.750 17.460 ( 8.257 -8.128 -7.587) 13.849 18.142 ( 11.714 -1.323 4.178) 12.507 18.497 ( 3.207 -14.813 -1.778) 15.260 18.844 ( -11.666 -1.411 -10.616) 15.836 19.250 ( -11.331 9.571 7.381) 16.568 19.549 ( 11.310 -6.332 3.052) 13.316 19.863 ( 4.495 3.639 0.201) 5.787 20.398 ( -11.242 9.189 7.271) 16.239 21.008 ( 0.993 -1.582 -4.569) 4.936 21.440 ( -14.690 9.794 3.939) 18.089 22.820 ( 7.071 -2.203 -2.673) 7.874 23.204 ( -0.418 0.362 2.355) 2.420 23.678 ( 6.648 1.136 -4.863) 8.315 23.920 ( -3.015 -3.106 4.954) 6.579 24.370 ( 0.689 -0.767 -4.346) 4.467 ======================= Grid point 131 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.254 -0.000 -7.045) 7.049 1.895 ( -11.614 0.000 -2.419) 11.863 2.152 ( 3.682 -0.000 -2.559) 4.484 2.216 ( -7.450 0.000 5.067) 9.010 2.467 ( -1.819 0.000 8.103) 8.305 2.483 ( -12.597 0.000 -0.053) 12.598 2.654 ( 1.740 -0.000 -4.572) 4.892 2.938 ( -2.297 0.000 -2.147) 3.144 3.095 ( 2.226 -0.000 -6.802) 7.156 3.204 ( -7.960 0.000 2.786) 8.433 3.452 ( 2.439 -0.000 -4.492) 5.111 3.515 ( -2.147 0.000 5.157) 5.586 3.789 ( -1.679 0.000 -0.233) 1.695 3.857 ( 0.867 -0.000 -2.271) 2.431 4.076 ( 1.574 -0.000 -3.010) 3.396 4.114 ( -3.873 0.000 1.096) 4.026 4.299 ( -4.635 0.000 1.824) 4.981 4.473 ( -6.598 0.000 -16.645) 17.905 4.705 ( 1.237 -0.000 -2.403) 2.702 4.817 ( -1.361 0.000 -7.771) 7.889 5.232 ( 0.443 -0.000 7.378) 7.392 5.289 ( -3.442 0.000 8.314) 8.998 5.702 ( 7.107 -0.000 3.160) 7.778 5.953 ( 6.171 -0.000 -0.580) 6.198 5.954 ( 5.381 -0.000 13.132) 14.191 6.095 ( -0.676 0.000 3.037) 3.112 6.216 ( -13.273 0.000 -7.392) 15.193 6.360 ( -7.608 0.000 0.711) 7.641 6.585 ( 13.376 -0.000 -5.181) 14.345 6.884 ( 3.347 -0.000 6.168) 7.017 6.985 ( -0.423 0.000 -11.472) 11.480 7.117 ( -5.047 0.000 3.701) 6.259 7.509 ( -3.594 0.000 2.449) 4.349 7.755 ( 4.026 -0.000 8.301) 9.226 7.883 ( -2.042 0.000 -12.343) 12.511 7.887 ( 3.673 -0.000 6.993) 7.899 8.063 ( 0.045 -0.000 -0.480) 0.482 8.450 ( 6.014 -0.000 -5.285) 8.006 8.854 ( 0.632 -0.000 15.319) 15.332 9.043 ( -4.476 0.000 7.425) 8.670 9.323 ( -2.927 0.000 0.565) 2.981 9.568 ( -5.170 0.000 -4.632) 6.942 9.714 ( 1.162 -0.000 0.755) 1.386 10.094 ( 2.313 -0.000 -6.191) 6.609 10.645 ( -2.948 0.000 3.180) 4.336 10.751 ( -4.598 0.000 -1.540) 4.849 11.572 ( 7.325 -0.000 0.820) 7.371 11.633 ( 3.602 -0.000 -2.180) 4.211 12.406 ( -8.138 0.000 16.666) 18.546 13.183 ( -6.491 0.000 -2.208) 6.856 13.223 ( 5.174 -0.000 6.398) 8.228 13.670 ( -3.135 0.000 2.802) 4.205 13.833 ( 4.208 -0.000 -8.039) 9.074 14.119 ( 7.738 -0.000 11.590) 13.936 14.502 ( -1.046 0.000 3.030) 3.206 14.529 ( -4.019 0.000 -5.774) 7.035 14.830 ( -1.215 0.000 -7.789) 7.883 14.928 ( 3.038 -0.000 -7.652) 8.233 15.285 ( -1.380 0.000 7.810) 7.931 15.507 ( -3.656 0.000 4.851) 6.074 15.902 ( 1.064 -0.000 -4.781) 4.898 16.006 ( 0.665 -0.000 -0.486) 0.824 16.437 ( 0.860 -0.000 -1.786) 1.983 17.199 ( 10.977 -0.000 -11.340) 15.783 17.795 ( 8.838 -0.000 5.460) 10.388 18.102 ( -2.418 0.000 -7.696) 8.067 19.227 ( 2.739 -0.000 -2.487) 3.700 19.298 ( -6.989 0.000 -1.520) 7.152 19.649 ( -6.633 0.000 -3.603) 7.549 19.845 ( 3.267 -0.000 6.474) 7.252 20.864 ( 1.120 -0.000 3.973) 4.128 21.108 ( -7.447 0.000 -6.005) 9.567 21.941 ( 5.226 -0.000 15.456) 16.316 22.591 ( -11.230 0.000 -8.042) 13.813 23.258 ( 10.049 -0.000 4.387) 10.965 23.355 ( -3.022 0.000 -3.604) 4.703 23.924 ( 1.456 -0.000 2.720) 3.085 24.388 ( -0.344 0.000 -6.383) 6.393 ======================= Grid point 132 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -1.604 -2.415 -4.315) 5.198 1.704 ( -17.331 -0.815 0.851) 17.371 2.034 ( -7.680 9.626 -0.268) 12.317 2.212 ( -2.249 -0.750 -2.722) 3.610 2.274 ( -11.929 3.326 4.528) 13.186 2.479 ( -3.263 2.456 8.343) 9.289 2.610 ( -0.919 2.351 -8.188) 8.568 2.906 ( -5.561 -4.487 1.085) 7.228 3.105 ( 2.534 -0.331 -4.618) 5.278 3.118 ( -6.692 1.080 0.548) 6.800 3.430 ( 0.637 2.789 -3.326) 4.387 3.469 ( -5.081 2.940 2.771) 6.491 3.743 ( -1.730 4.356 -0.190) 4.691 3.784 ( -6.193 2.123 -2.895) 7.159 3.911 ( -4.211 10.613 1.072) 11.469 4.208 ( -6.691 -0.047 -0.252) 6.695 4.276 ( 0.095 -10.461 -6.709) 12.428 4.323 ( 1.130 -0.725 -6.771) 6.903 4.689 ( -1.609 -0.846 0.592) 1.912 4.754 ( -3.084 -0.954 -6.327) 7.103 5.255 ( 3.922 4.620 4.743) 7.695 5.386 ( 3.652 -4.362 6.866) 8.917 5.708 ( -1.817 5.649 1.374) 6.091 5.945 ( -7.475 4.293 -1.936) 8.835 5.990 ( 4.992 1.141 4.244) 6.651 6.090 ( 0.272 1.319 0.097) 1.350 6.225 ( 0.109 -5.626 -1.463) 5.814 6.308 ( -5.597 -5.014 9.479) 12.096 6.680 ( 9.905 3.879 -4.908) 11.715 6.837 ( -5.907 -0.225 -3.045) 6.650 7.019 ( 8.982 1.214 -5.301) 10.500 7.071 ( -3.670 1.164 2.516) 4.600 7.496 ( -2.665 -2.604 2.636) 4.564 7.697 ( 1.309 11.444 -2.753) 11.843 7.837 ( 0.646 0.802 0.241) 1.058 7.993 ( 1.496 -2.234 6.490) 7.025 8.177 ( 3.543 -11.047 0.638) 11.619 8.475 ( 3.007 -0.377 -6.265) 6.959 8.930 ( -0.901 1.367 12.586) 12.692 9.037 ( -3.008 2.482 8.898) 9.716 9.266 ( -5.399 0.936 1.203) 5.610 9.457 ( -5.627 0.509 -5.486) 7.875 9.733 ( 1.295 0.088 0.226) 1.318 10.058 ( -0.023 2.072 -5.192) 5.590 10.607 ( -5.221 1.699 0.889) 5.562 10.677 ( -3.602 0.660 1.187) 3.850 11.649 ( 8.219 3.903 0.174) 9.100 11.719 ( 9.110 -2.532 -1.565) 9.584 12.465 ( -6.421 -6.621 17.045) 19.380 13.042 ( -9.064 3.318 -2.863) 10.068 13.261 ( 0.475 6.831 8.197) 10.681 13.684 ( 1.543 0.359 2.251) 2.753 13.891 ( 6.367 -5.888 -5.728) 10.393 14.239 ( 4.918 5.755 9.819) 12.398 14.420 ( -4.147 0.555 -7.331) 8.441 14.523 ( -2.930 -2.421 5.566) 6.740 14.737 ( 3.599 5.036 -9.900) 11.676 14.974 ( 2.647 -7.028 -8.354) 11.233 15.259 ( -2.325 6.470 8.007) 10.553 15.526 ( -3.546 -3.813 6.432) 8.276 15.861 ( 0.170 1.908 -2.949) 3.516 16.047 ( -1.069 -4.101 -3.278) 5.358 16.551 ( 5.109 -15.215 -3.740) 16.480 17.288 ( 11.985 -0.733 -10.611) 16.024 17.940 ( 9.600 2.163 4.040) 10.638 18.077 ( 0.808 -7.223 -7.399) 10.371 19.142 ( -8.396 3.600 -4.858) 10.347 19.292 ( 4.791 -1.404 2.201) 5.456 19.556 ( -4.971 2.041 0.528) 5.399 19.910 ( 2.823 1.035 4.414) 5.341 20.836 ( -3.699 7.147 3.438) 8.751 20.998 ( -6.093 -2.943 -3.983) 7.852 21.992 ( -4.711 9.494 11.567) 15.688 22.484 ( -5.380 -9.710 -5.818) 12.533 23.252 ( 1.004 4.883 -0.815) 5.051 23.459 ( 5.852 -6.763 0.208) 8.946 23.952 ( 1.681 1.914 3.118) 4.026 24.350 ( -0.336 -0.973 -6.526) 6.607 ======================= Grid point 133 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -16.458 -0.368 2.710) 16.684 1.555 ( -9.772 -1.126 0.804) 9.869 1.798 ( -9.788 5.223 -0.007) 11.094 2.063 ( -6.744 5.094 6.016) 10.374 2.252 ( 0.798 0.023 -2.489) 2.614 2.421 ( -3.336 6.164 5.475) 8.894 2.484 ( -4.125 1.827 -9.546) 10.558 2.871 ( -8.702 2.890 3.451) 9.798 3.035 ( -4.099 1.938 1.842) 4.893 3.081 ( -2.620 -2.733 -5.987) 7.084 3.357 ( -4.358 1.610 2.371) 5.216 3.380 ( -0.732 5.083 -1.920) 5.483 3.655 ( -5.370 -1.535 -0.531) 5.610 3.681 ( -1.625 4.011 -2.373) 4.936 3.744 ( -1.955 9.541 2.176) 9.979 4.097 ( -8.251 2.248 0.800) 8.589 4.186 ( -2.295 1.589 -8.183) 8.646 4.552 ( 6.131 -13.379 0.213) 14.719 4.683 ( -0.713 -1.148 -5.945) 6.096 4.735 ( -2.553 -6.690 2.683) 7.647 5.279 ( 7.538 4.579 -0.676) 8.846 5.522 ( 4.918 -1.759 3.102) 6.075 5.560 ( -10.338 3.930 0.163) 11.061 5.841 ( -0.358 2.407 1.343) 2.779 6.039 ( -3.374 4.064 2.239) 5.737 6.078 ( 4.733 0.084 2.323) 5.273 6.180 ( -8.616 -2.077 0.204) 8.865 6.432 ( 4.256 -1.370 2.845) 5.300 6.694 ( 7.112 3.313 -1.709) 8.030 6.763 ( -2.871 -0.483 -6.231) 6.878 7.025 ( 3.816 6.708 -4.582) 8.976 7.064 ( -1.058 -1.709 4.800) 5.204 7.476 ( -3.538 0.586 -3.417) 4.954 7.626 ( 5.373 4.031 2.420) 7.139 7.816 ( -1.802 1.848 0.598) 2.650 8.085 ( 1.901 -2.950 5.540) 6.558 8.331 ( 2.681 -4.220 -3.177) 5.924 8.494 ( 1.054 -3.969 -0.088) 4.107 8.951 ( -2.889 1.196 7.320) 7.960 8.980 ( -4.611 5.694 6.457) 9.766 9.193 ( -3.933 1.953 0.023) 4.391 9.370 ( -5.142 -1.710 -2.098) 5.811 9.750 ( 2.589 0.687 -0.671) 2.761 9.977 ( -2.614 4.012 -2.824) 5.559 10.496 ( -5.651 2.486 -0.530) 6.196 10.672 ( -0.521 -0.393 3.465) 3.526 11.699 ( 8.194 4.240 0.725) 9.254 11.880 ( 10.866 -3.595 -1.010) 11.490 12.603 ( -4.711 -8.074 16.596) 19.048 12.856 ( -10.199 3.597 -1.717) 10.950 13.162 ( -2.365 11.764 4.556) 12.835 13.714 ( 1.796 -0.107 1.856) 2.585 14.035 ( 4.049 -5.969 -4.207) 8.350 14.206 ( 1.215 5.361 2.918) 6.224 14.359 ( 0.312 1.867 -2.326) 2.999 14.547 ( -2.301 -0.235 5.747) 6.195 14.690 ( 5.344 2.727 -7.812) 9.850 15.053 ( 1.846 -8.656 -10.660) 13.855 15.190 ( -1.963 5.988 6.864) 9.318 15.587 ( -3.579 -4.660 10.058) 11.648 15.827 ( -1.636 -0.221 -1.983) 2.580 16.037 ( -1.146 -1.272 -4.196) 4.532 16.888 ( 8.668 -24.583 -6.011) 26.750 17.361 ( 9.216 1.007 -8.729) 12.733 18.061 ( 6.481 -8.584 -5.026) 11.872 18.195 ( 7.536 -2.615 0.296) 7.982 18.936 ( -9.346 5.069 -5.462) 11.953 19.421 ( 5.357 -0.957 5.152) 7.494 19.469 ( -1.527 3.919 4.184) 5.932 19.944 ( 3.142 2.240 1.970) 4.333 20.648 ( -10.624 8.955 2.921) 14.198 20.971 ( -1.685 -1.809 -1.986) 3.171 21.742 ( -13.953 13.649 4.411) 20.012 22.610 ( 0.653 -13.484 -1.689) 13.605 23.219 ( 1.342 2.163 0.438) 2.583 23.614 ( 6.226 -5.556 -1.428) 8.466 23.947 ( 0.213 3.595 3.421) 4.968 24.329 ( 0.143 -1.750 -5.573) 5.843 ======================= Grid point 134 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -13.017 0.702 1.164) 13.088 1.435 ( -11.379 -1.686 5.744) 12.858 1.665 ( -5.801 3.123 2.743) 7.136 2.001 ( -2.495 3.490 3.772) 5.713 2.242 ( 1.550 -0.716 -4.339) 4.663 2.314 ( -0.990 8.232 1.645) 8.453 2.395 ( -2.871 -2.143 -2.984) 4.662 2.728 ( -4.944 4.836 4.366) 8.178 2.911 ( -7.481 2.268 0.561) 7.837 3.085 ( -2.113 -3.179 -3.540) 5.206 3.315 ( 0.085 2.254 -1.580) 2.754 3.342 ( -2.567 -2.376 2.301) 4.187 3.586 ( 0.070 7.114 1.576) 7.287 3.638 ( -0.413 1.425 -1.781) 2.318 3.687 ( -1.029 -3.777 2.681) 4.745 3.947 ( -12.367 0.369 0.552) 12.385 4.127 ( 0.255 0.086 -2.967) 2.979 4.624 ( 3.451 2.045 -6.027) 7.240 4.773 ( -2.111 -8.794 3.886) 9.844 4.897 ( 3.241 -14.208 -0.629) 14.586 5.313 ( 7.815 3.295 -2.166) 8.754 5.372 ( -11.144 2.395 -0.574) 11.413 5.590 ( 5.490 2.429 0.604) 6.034 5.852 ( -2.939 2.366 1.416) 4.030 5.941 ( -3.825 0.476 2.672) 4.690 6.062 ( -0.475 6.026 2.881) 6.697 6.182 ( 2.171 -2.690 -0.639) 3.516 6.440 ( 5.064 3.121 -7.196) 9.337 6.672 ( -2.902 2.424 -9.509) 10.233 6.824 ( 7.455 -4.305 7.380) 11.339 6.885 ( -1.810 10.696 -2.151) 11.059 7.152 ( 1.791 -4.882 7.239) 8.913 7.419 ( -1.995 0.246 -2.812) 3.456 7.653 ( 1.721 2.952 0.961) 3.549 7.756 ( -1.811 3.441 1.851) 4.306 8.184 ( 3.414 -3.335 2.114) 5.220 8.336 ( 1.059 0.514 -5.930) 6.046 8.572 ( -0.197 -3.486 2.366) 4.218 8.835 ( -7.804 7.357 6.385) 12.482 8.964 ( -0.173 -0.504 -1.167) 1.283 9.121 ( -3.006 0.161 -0.786) 3.112 9.347 ( -3.925 -2.089 3.455) 5.631 9.773 ( 4.249 1.406 -1.659) 4.773 9.860 ( -4.942 3.914 -1.075) 6.395 10.428 ( -2.633 -0.516 0.140) 2.687 10.698 ( 0.613 0.636 4.210) 4.302 11.753 ( 6.743 3.319 2.130) 7.812 12.056 ( 8.577 -3.885 0.133) 9.417 12.659 ( -4.089 4.388 -1.064) 6.092 12.761 ( -11.221 -7.186 16.783) 21.429 12.975 ( -1.977 11.465 -1.077) 11.684 13.755 ( 1.244 -1.272 1.346) 2.231 14.003 ( -1.738 3.821 -3.200) 5.278 14.290 ( 4.450 -4.653 -3.787) 7.469 14.319 ( 0.048 2.503 4.402) 5.065 14.540 ( -0.062 2.685 2.832) 3.903 14.677 ( 2.975 1.909 -5.285) 6.358 15.100 ( -2.106 -5.955 -5.271) 8.227 15.151 ( 1.708 1.516 -2.211) 3.178 15.656 ( -6.072 -3.675 8.270) 10.898 15.820 ( -0.799 -1.949 4.419) 4.895 16.028 ( 2.275 -0.818 -3.905) 4.593 17.234 ( 6.214 -15.624 -10.865) 20.020 17.436 ( 9.299 -3.422 -1.990) 10.106 18.212 ( -4.974 -14.861 -11.142) 19.228 18.348 ( 15.820 0.239 1.159) 15.864 18.742 ( -4.575 5.157 -0.694) 6.928 19.322 ( -4.707 9.527 5.191) 11.826 19.619 ( 6.535 -3.651 3.558) 8.288 19.971 ( 5.775 1.972 1.532) 6.292 20.393 ( -14.599 8.986 5.974) 18.154 20.979 ( 2.054 -2.142 -2.942) 4.179 21.426 ( -12.214 10.546 2.996) 16.413 22.773 ( 0.898 -10.268 -2.266) 10.553 23.221 ( 0.228 0.659 2.074) 2.188 23.731 ( 6.179 -2.157 -3.935) 7.637 23.913 ( -1.846 2.996 4.123) 5.421 24.333 ( 0.898 -2.350 -3.833) 4.584 ======================= Grid point 141 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -22.295 0.000 5.325) 22.922 1.522 ( -3.223 0.000 -5.084) 6.020 1.918 ( -19.682 0.000 -1.083) 19.712 2.171 ( 0.045 -0.000 -5.068) 5.068 2.195 ( -7.768 0.000 9.687) 12.417 2.484 ( -4.738 0.000 1.069) 4.857 2.592 ( -0.208 0.000 -6.615) 6.618 2.827 ( -3.429 0.000 8.220) 8.906 3.043 ( -7.594 0.000 -0.153) 7.596 3.101 ( 0.643 -0.000 -5.365) 5.404 3.404 ( -10.705 0.000 4.887) 11.768 3.454 ( 3.606 -0.000 -5.900) 6.914 3.648 ( -9.921 0.000 -3.958) 10.682 3.757 ( -2.812 0.000 0.492) 2.855 4.004 ( -6.892 0.000 -0.752) 6.933 4.006 ( -5.253 0.000 -7.025) 8.772 4.212 ( -0.851 0.000 2.221) 2.379 4.303 ( 3.746 -0.000 -4.899) 6.167 4.635 ( -5.812 0.000 1.774) 6.076 4.675 ( -3.297 0.000 -3.361) 4.708 5.380 ( 2.778 -0.000 3.941) 4.822 5.436 ( 4.359 -0.000 6.255) 7.624 5.590 ( -12.351 0.000 -5.554) 13.542 5.930 ( -1.805 0.000 0.551) 1.887 6.010 ( 3.799 -0.000 0.958) 3.918 6.132 ( -10.825 0.000 -0.197) 10.827 6.227 ( 2.690 -0.000 10.368) 10.711 6.344 ( 11.632 -0.000 2.897) 11.987 6.743 ( -3.327 0.000 -6.326) 7.148 6.797 ( 8.083 -0.000 -3.989) 9.014 7.073 ( 0.243 -0.000 0.200) 0.315 7.096 ( 6.153 -0.000 -3.826) 7.245 7.444 ( -3.923 0.000 3.270) 5.107 7.685 ( -2.677 0.000 -9.255) 9.634 7.945 ( 1.956 -0.000 9.019) 9.229 8.076 ( 0.885 -0.000 0.713) 1.137 8.126 ( 7.113 -0.000 8.048) 10.741 8.459 ( 1.880 -0.000 -6.944) 7.194 8.966 ( -4.686 0.000 7.250) 8.633 9.101 ( -1.522 0.000 11.442) 11.543 9.188 ( -8.930 0.000 3.074) 9.444 9.342 ( -5.305 0.000 -8.837) 10.307 9.757 ( 1.872 -0.000 0.449) 1.925 10.035 ( -0.277 0.000 -5.725) 5.731 10.570 ( -5.241 0.000 0.864) 5.312 10.639 ( -2.533 0.000 2.654) 3.669 11.783 ( 9.361 -0.000 -1.015) 9.416 11.831 ( 11.696 -0.000 -1.019) 11.740 12.456 ( -6.732 0.000 22.474) 23.461 12.917 ( -10.002 0.000 -4.599) 11.009 13.350 ( -3.246 0.000 11.571) 12.018 13.780 ( 6.832 -0.000 1.742) 7.050 13.852 ( 3.187 -0.000 -7.616) 8.256 14.302 ( -4.795 0.000 -8.371) 9.647 14.435 ( 5.231 -0.000 12.502) 13.552 14.481 ( -5.364 0.000 5.770) 7.879 14.762 ( 5.256 -0.000 -11.552) 12.692 14.897 ( 2.914 -0.000 -10.615) 11.008 15.332 ( -3.069 0.000 7.970) 8.540 15.485 ( -3.906 0.000 8.830) 9.655 15.853 ( -0.379 0.000 -5.162) 5.176 16.015 ( 1.281 -0.000 -2.248) 2.587 16.463 ( 4.702 -0.000 -5.392) 7.154 17.388 ( 13.872 -0.000 -11.097) 17.764 17.914 ( -2.540 0.000 -10.446) 10.750 18.182 ( 14.060 -0.000 6.739) 15.592 19.017 ( -8.621 0.000 -5.320) 10.131 19.389 ( 6.166 -0.000 7.214) 9.490 19.541 ( -1.470 0.000 1.544) 2.132 19.975 ( 2.731 -0.000 3.118) 4.145 20.806 ( -10.668 0.000 -4.460) 11.563 20.916 ( -1.376 0.000 4.407) 4.617 22.113 ( -6.580 0.000 12.385) 14.024 22.229 ( -8.808 0.000 -9.007) 12.598 23.285 ( 2.757 -0.000 -4.474) 5.256 23.496 ( 4.931 -0.000 3.148) 5.850 24.007 ( 1.714 -0.000 2.835) 3.313 24.302 ( 0.005 -0.000 -5.851) 5.851 ======================= Grid point 142 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -22.395 -4.973 9.608) 24.871 1.389 ( -15.561 0.451 -4.635) 16.243 1.699 ( -10.463 0.539 3.117) 10.931 2.109 ( -1.841 1.863 2.682) 3.749 2.208 ( -2.538 -2.173 2.387) 4.106 2.389 ( -3.857 3.444 -5.108) 7.268 2.531 ( -0.165 4.134 -0.642) 4.187 2.817 ( -10.059 1.535 4.037) 10.947 2.954 ( -7.016 -2.107 -5.101) 8.927 3.026 ( -4.552 2.061 3.835) 6.299 3.312 ( -5.229 -0.151 1.853) 5.550 3.423 ( -0.190 5.322 -4.216) 6.792 3.538 ( -2.703 -2.970 -4.720) 6.197 3.708 ( -2.743 2.011 1.658) 3.783 3.824 ( -4.974 5.776 -0.568) 7.644 3.922 ( -12.683 -2.087 -4.537) 13.631 4.191 ( 0.642 3.993 -0.037) 4.045 4.441 ( 4.267 -12.973 0.185) 13.658 4.604 ( -7.153 -5.422 3.153) 9.513 4.635 ( -1.025 -1.066 -1.695) 2.249 5.355 ( -8.259 0.172 -5.472) 9.909 5.399 ( -4.250 0.516 -0.022) 4.281 5.591 ( 6.711 -0.784 4.366) 8.044 5.906 ( -4.843 1.364 -1.563) 5.268 5.990 ( -3.302 2.112 3.754) 5.427 6.093 ( 4.011 -1.879 -0.393) 4.446 6.273 ( 2.822 5.932 9.432) 11.494 6.514 ( 9.667 -0.692 -0.665) 9.715 6.678 ( -0.705 -0.472 -7.298) 7.347 6.841 ( 7.592 4.017 -2.928) 9.074 7.059 ( 0.509 1.097 1.619) 2.021 7.135 ( 4.010 2.979 -2.518) 5.594 7.410 ( -3.509 -0.048 -1.369) 3.767 7.635 ( -1.254 -3.322 -3.421) 4.931 7.929 ( 1.016 8.863 7.063) 11.379 8.127 ( 2.428 -2.141 4.003) 5.148 8.297 ( 3.488 -3.741 3.014) 5.937 8.464 ( 2.498 -2.662 -2.381) 4.358 8.920 ( -7.155 -0.951 3.062) 7.840 9.031 ( -7.739 6.440 6.294) 11.873 9.152 ( -4.918 0.243 1.404) 5.121 9.250 ( -4.691 -3.987 -3.754) 7.210 9.784 ( 2.648 0.251 -0.585) 2.724 9.981 ( -0.880 2.835 -4.142) 5.096 10.472 ( -5.155 3.519 0.267) 6.247 10.674 ( 0.833 -2.287 4.392) 5.022 11.869 ( 9.180 4.269 0.031) 10.125 11.982 ( 11.239 -1.790 -0.922) 11.418 12.564 ( -7.299 -5.310 26.832) 28.309 12.755 ( -8.734 1.852 -4.279) 9.901 13.303 ( -3.422 10.381 6.774) 12.859 13.774 ( 2.180 3.016 -0.755) 3.797 13.948 ( 1.822 -7.718 -5.267) 9.520 14.212 ( -0.826 -0.646 -6.522) 6.606 14.414 ( -4.730 3.619 7.034) 9.216 14.571 ( 1.399 -0.596 9.527) 9.647 14.738 ( 5.539 2.756 -10.933) 12.562 14.907 ( 2.138 -6.127 -12.554) 14.132 15.282 ( -3.534 6.204 7.106) 10.074 15.541 ( -3.380 -4.119 11.234) 12.433 15.802 ( -1.205 0.923 -2.564) 2.980 16.018 ( 1.703 -0.103 -2.983) 3.437 16.638 ( 7.278 -19.666 -7.410) 22.240 17.466 ( 11.380 2.602 -9.592) 15.109 17.887 ( -0.962 -7.745 -8.755) 11.729 18.385 ( 13.215 0.870 4.903) 14.122 18.878 ( -5.946 3.456 -1.813) 7.112 19.505 ( 2.703 2.001 4.733) 5.807 19.540 ( 3.506 0.115 4.356) 5.593 20.020 ( 3.518 1.055 1.596) 4.005 20.610 ( -11.139 5.797 -0.786) 12.582 20.931 ( -1.229 -1.563 1.751) 2.649 21.803 ( -12.396 18.443 1.037) 22.246 22.346 ( -5.423 -20.526 -0.926) 21.250 23.285 ( 3.715 3.447 -1.656) 5.331 23.601 ( 3.958 -5.438 0.686) 6.761 24.019 ( 0.596 3.025 2.603) 4.035 24.282 ( 0.525 -1.190 -4.477) 4.663 ======================= Grid point 143 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -18.529 -4.382 1.701) 19.116 1.214 ( -16.650 -9.639 8.255) 20.935 1.656 ( -0.570 0.252 3.886) 3.936 2.090 ( -2.095 6.112 3.860) 7.526 2.217 ( 0.239 -0.766 -1.663) 1.846 2.306 ( 0.497 -3.881 -3.799) 5.454 2.418 ( -8.630 5.606 4.003) 11.042 2.729 ( -4.719 -3.860 2.451) 6.571 2.775 ( -9.802 2.065 -4.713) 11.070 3.036 ( -1.272 0.036 1.922) 2.305 3.277 ( -5.142 -0.958 3.014) 6.037 3.342 ( 1.895 2.917 -3.773) 5.132 3.572 ( 1.828 -5.043 -3.740) 6.539 3.672 ( -2.001 1.336 4.490) 5.094 3.694 ( -6.589 2.725 -2.219) 7.468 3.759 ( -8.590 1.129 0.025) 8.664 4.147 ( 0.739 3.386 -0.399) 3.489 4.604 ( -2.934 -5.478 -2.357) 6.647 4.641 ( -4.345 -8.765 5.282) 11.118 4.712 ( 1.677 -12.486 -1.526) 12.690 5.202 ( -10.817 -1.032 -3.688) 11.475 5.360 ( -2.527 -1.047 -0.800) 2.849 5.702 ( 6.515 1.133 4.393) 7.939 5.739 ( -8.961 0.422 -8.131) 12.108 6.052 ( 6.339 2.906 7.951) 10.576 6.146 ( 4.779 1.081 -1.875) 5.246 6.272 ( 2.915 6.561 4.777) 8.623 6.534 ( 6.675 4.963 -8.750) 12.072 6.647 ( 2.274 3.825 -5.257) 6.888 6.906 ( 5.606 -0.741 3.940) 6.892 7.021 ( 1.087 10.058 -1.557) 10.236 7.145 ( 2.515 -3.940 4.310) 6.358 7.382 ( -1.365 -1.020 -1.503) 2.272 7.637 ( -3.865 -0.910 0.010) 3.971 7.874 ( 2.282 7.282 4.726) 8.976 8.215 ( 3.318 -2.306 2.995) 5.030 8.322 ( 1.207 1.363 -4.367) 4.732 8.539 ( 0.122 -3.128 2.160) 3.803 8.852 ( -8.587 4.266 6.343) 11.497 8.931 ( -1.587 -2.310 -0.826) 2.922 9.051 ( -5.083 0.668 -4.522) 6.836 9.261 ( -5.516 -5.325 3.748) 8.533 9.809 ( 3.193 0.062 -2.294) 3.932 9.881 ( -2.726 6.494 -0.662) 7.074 10.393 ( -3.041 0.161 0.240) 3.055 10.746 ( 2.637 -0.372 4.351) 5.102 11.911 ( 7.116 5.313 1.445) 8.998 12.130 ( 7.649 -0.929 1.555) 7.860 12.584 ( -10.285 0.084 2.679) 10.628 12.718 ( -6.734 -1.361 22.000) 23.048 13.094 ( -2.765 13.129 -3.448) 13.853 13.775 ( 0.569 0.841 0.690) 1.227 13.978 ( -0.394 -1.945 -3.939) 4.411 14.221 ( -0.465 -3.782 -6.073) 7.169 14.367 ( -3.449 0.525 7.861) 8.601 14.612 ( 0.708 2.939 5.596) 6.360 14.700 ( 3.247 2.301 -8.977) 9.820 14.944 ( 1.877 -7.706 -13.162) 15.367 15.197 ( -3.186 5.210 4.482) 7.575 15.587 ( -5.493 -1.853 6.931) 9.036 15.836 ( 2.066 -3.051 8.795) 9.535 16.030 ( 3.203 -0.985 -4.005) 5.222 16.982 ( 6.806 -22.533 -11.338) 26.127 17.547 ( 12.366 -0.715 -1.714) 12.504 17.923 ( -4.287 -8.336 -7.946) 12.288 18.539 ( 8.767 2.026 1.679) 9.154 18.789 ( 1.664 2.793 1.957) 3.794 19.441 ( 0.163 10.349 0.773) 10.379 19.652 ( 2.399 -3.132 3.010) 4.963 20.069 ( 5.280 0.449 1.637) 5.547 20.371 ( -11.947 9.377 4.597) 15.868 20.963 ( 2.461 -2.718 -1.397) 3.924 21.446 ( -10.844 12.296 1.415) 16.456 22.548 ( -3.614 -19.023 -2.256) 19.494 23.257 ( -0.058 3.739 0.395) 3.760 23.733 ( 5.304 -5.219 -2.193) 7.757 23.981 ( -0.460 4.989 2.873) 5.775 24.290 ( 0.885 -2.398 -3.112) 4.027 ======================= Grid point 151 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -23.070 0.000 14.745) 27.379 1.120 ( -22.136 0.000 -3.579) 22.424 1.659 ( -0.836 0.000 6.157) 6.213 2.043 ( -5.824 0.000 -1.132) 5.933 2.210 ( -1.803 0.000 4.614) 4.954 2.362 ( -3.681 0.000 -2.101) 4.239 2.558 ( 3.512 -0.000 -2.796) 4.489 2.564 ( -28.869 0.000 -3.305) 29.058 2.833 ( -6.804 0.000 -2.090) 7.118 3.055 ( -0.148 0.000 8.173) 8.174 3.268 ( -3.388 0.000 1.730) 3.804 3.449 ( 0.569 -0.000 -5.146) 5.178 3.482 ( 4.310 -0.000 -4.865) 6.499 3.679 ( -4.347 0.000 1.327) 4.545 3.734 ( -8.171 0.000 -3.563) 8.914 3.779 ( -9.449 0.000 0.581) 9.467 4.261 ( 0.111 -0.000 3.742) 3.743 4.379 ( 2.452 -0.000 1.149) 2.708 4.473 ( -9.477 0.000 3.315) 10.040 4.611 ( -0.185 0.000 -1.351) 1.364 5.187 ( -8.608 0.000 -6.499) 10.786 5.351 ( -6.368 0.000 -1.158) 6.473 5.715 ( 8.206 -0.000 4.908) 9.562 5.732 ( -11.545 0.000 -9.129) 14.718 6.092 ( 5.646 -0.000 9.458) 11.015 6.160 ( 7.722 -0.000 -2.497) 8.115 6.390 ( 0.194 -0.000 8.498) 8.500 6.631 ( 9.987 -0.000 -3.295) 10.517 6.638 ( 1.925 -0.000 -4.974) 5.334 6.946 ( 8.066 -0.000 -2.578) 8.468 7.121 ( 3.027 -0.000 -0.197) 3.034 7.152 ( 2.233 -0.000 -2.269) 3.183 7.386 ( -4.539 0.000 4.378) 6.306 7.564 ( 0.489 -0.000 -4.866) 4.891 8.071 ( -0.783 0.000 9.900) 9.931 8.103 ( 0.792 -0.000 -0.858) 1.167 8.384 ( 4.136 -0.000 8.159) 9.147 8.462 ( 3.847 -0.000 -2.911) 4.824 8.802 ( -10.411 0.000 0.423) 10.420 9.007 ( -8.480 0.000 5.528) 10.123 9.100 ( -3.547 0.000 -12.250) 12.753 9.130 ( -6.861 0.000 8.663) 11.051 9.817 ( 3.013 -0.000 -0.979) 3.168 9.973 ( 0.970 -0.000 -5.021) 5.114 10.433 ( -5.370 0.000 -0.052) 5.370 10.715 ( 3.393 -0.000 5.388) 6.367 12.027 ( 9.383 -0.000 0.535) 9.398 12.083 ( 9.581 -0.000 -3.443) 10.181 12.638 ( -6.894 0.000 -3.641) 7.797 12.644 ( -6.734 0.000 39.003) 39.580 13.416 ( -0.992 0.000 8.154) 8.214 13.755 ( -2.570 0.000 -7.415) 7.848 13.879 ( 1.100 -0.000 -5.034) 5.153 14.147 ( -1.592 0.000 -5.637) 5.857 14.390 ( -7.746 0.000 6.752) 10.275 14.651 ( 1.404 -0.000 6.562) 6.711 14.764 ( 6.381 -0.000 -13.636) 15.055 14.801 ( -0.116 0.000 -9.940) 9.941 15.327 ( -3.894 0.000 7.155) 8.146 15.574 ( -1.243 0.000 18.342) 18.384 15.767 ( -2.247 0.000 -2.792) 3.584 16.023 ( 1.900 -0.000 -2.472) 3.118 16.537 ( 8.196 -0.000 -9.640) 12.653 17.557 ( 10.104 -0.000 -11.701) 15.460 17.799 ( 0.290 -0.000 -0.450) 0.536 18.558 ( 8.972 -0.000 2.894) 9.427 18.843 ( -2.711 0.000 0.954) 2.874 19.585 ( 0.849 -0.000 6.388) 6.444 19.618 ( 6.660 -0.000 0.899) 6.720 20.076 ( 3.548 -0.000 0.059) 3.549 20.529 ( -7.071 0.000 -0.703) 7.106 20.918 ( -1.116 0.000 2.783) 2.998 21.931 ( -5.481 0.000 -11.920) 13.119 21.944 ( -14.760 0.000 7.385) 16.504 23.365 ( 5.408 -0.000 -2.197) 5.837 23.594 ( 1.284 -0.000 1.272) 1.807 24.059 ( -0.211 0.000 2.324) 2.334 24.260 ( 0.983 -0.000 -3.103) 3.255 ======================= Grid point 152 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -20.050 -2.535 5.232) 20.875 0.905 ( -19.508 -9.908 9.703) 23.935 1.728 ( 5.321 0.448 6.991) 8.797 2.012 ( -26.145 -15.467 5.227) 30.824 2.099 ( -12.421 4.606 -4.607) 14.026 2.206 ( -1.515 -0.919 0.653) 1.888 2.347 ( -1.540 1.429 -2.635) 3.370 2.635 ( 2.458 -3.110 -0.363) 3.980 2.739 ( -2.938 1.083 -0.602) 3.188 3.067 ( -1.494 3.655 3.968) 5.598 3.240 ( -3.957 0.482 3.962) 5.620 3.416 ( 4.814 5.896 -4.132) 8.661 3.540 ( 3.123 -2.499 -1.577) 4.300 3.558 ( -6.947 1.650 -5.399) 8.952 3.653 ( -6.289 -0.259 6.405) 8.980 3.735 ( -1.850 -4.696 -1.329) 5.219 4.227 ( -0.033 6.677 1.880) 6.937 4.400 ( -8.264 -8.343 2.996) 12.119 4.505 ( -3.012 -8.358 3.651) 9.605 4.624 ( 0.890 -4.312 -4.614) 6.378 5.064 ( -5.837 -0.239 -4.801) 7.562 5.226 ( -13.421 -1.898 -1.615) 13.650 5.586 ( -1.847 -2.030 -11.457) 11.781 5.844 ( 8.319 0.885 5.046) 9.770 6.210 ( 4.742 1.576 8.404) 9.777 6.224 ( 6.096 1.713 -2.855) 6.946 6.367 ( -0.597 4.292 -3.665) 5.676 6.642 ( 7.070 4.638 0.156) 8.457 6.737 ( 7.321 0.412 -2.161) 7.645 7.006 ( 5.529 3.656 -0.130) 6.630 7.117 ( 2.751 2.516 1.603) 4.057 7.192 ( 1.677 1.458 1.772) 2.842 7.348 ( -1.872 -0.457 3.017) 3.579 7.578 ( -0.763 -1.843 -1.089) 2.273 8.020 ( 1.241 7.030 3.376) 7.896 8.194 ( 0.885 -5.731 1.672) 6.035 8.388 ( -0.082 6.982 2.790) 7.519 8.519 ( -0.228 -1.468 1.017) 1.800 8.761 ( -4.021 -9.528 1.978) 10.530 8.900 ( -5.369 4.622 0.550) 7.105 8.984 ( -3.217 1.783 -5.147) 6.326 9.123 ( -8.439 -5.813 5.338) 11.554 9.843 ( 3.380 0.718 -2.067) 4.026 9.931 ( 0.247 4.769 -3.136) 5.713 10.358 ( -3.971 1.079 0.367) 4.132 10.804 ( 4.079 -1.176 3.547) 5.532 12.070 ( 6.406 5.646 -1.700) 8.707 12.217 ( 7.915 -3.556 -1.095) 8.746 12.525 ( -5.639 4.295 3.464) 7.889 12.829 ( -6.751 4.768 43.204) 43.987 13.214 ( -5.241 19.143 -9.070) 21.821 13.777 ( -1.441 -1.065 0.760) 1.946 13.894 ( 2.476 -9.918 -5.043) 11.399 14.113 ( -3.254 -3.407 -4.694) 6.651 14.339 ( -6.866 -1.430 7.145) 10.012 14.664 ( 0.368 0.731 -2.909) 3.022 14.713 ( 1.582 2.791 -7.539) 8.193 14.801 ( 2.069 -4.994 -10.892) 12.160 15.278 ( -2.558 7.040 7.364) 10.504 15.582 ( -5.505 5.402 9.753) 12.434 15.881 ( 5.197 -9.321 14.977) 18.390 16.031 ( 1.987 0.151 -3.252) 3.814 16.717 ( 7.358 -18.422 -12.577) 23.488 17.629 ( 9.393 -4.014 -9.965) 14.271 17.857 ( 3.364 -1.132 11.489) 12.025 18.621 ( -0.344 1.164 1.073) 1.620 18.866 ( 6.421 -0.565 1.931) 6.729 19.595 ( -0.091 7.149 1.617) 7.330 19.647 ( 0.197 2.784 -0.106) 2.793 20.122 ( 3.495 -1.425 -0.654) 3.831 20.425 ( -1.550 8.002 3.382) 8.825 20.950 ( 2.087 -2.940 -0.007) 3.606 21.494 ( -11.500 16.691 -2.442) 20.416 22.153 ( -6.943 -27.645 -5.339) 28.999 23.332 ( -0.301 8.479 -0.826) 8.524 23.694 ( 4.911 -8.784 -2.935) 10.483 24.046 ( -0.824 2.837 2.898) 4.138 24.262 ( 0.874 -0.766 -2.129) 2.426 ======================= Grid point 161 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -20.846 0.000 7.887) 22.288 0.623 ( -22.237 0.000 7.635) 23.511 1.402 ( -48.616 0.000 14.902) 50.849 1.892 ( 9.898 -0.000 5.627) 11.386 2.026 ( -2.775 0.000 -2.510) 3.742 2.168 ( -1.805 0.000 -2.360) 2.971 2.332 ( -0.577 0.000 -1.953) 2.036 2.655 ( 3.287 -0.000 1.143) 3.480 2.730 ( 1.423 -0.000 0.217) 1.439 3.103 ( -0.788 0.000 1.519) 1.711 3.222 ( -4.312 0.000 4.019) 5.895 3.471 ( -10.242 0.000 -7.172) 12.504 3.504 ( -0.014 0.000 -2.719) 2.719 3.564 ( -0.280 0.000 2.405) 2.421 3.607 ( 4.945 -0.000 1.412) 5.142 3.638 ( -0.488 0.000 4.746) 4.771 4.271 ( -3.027 0.000 2.811) 4.131 4.293 ( -5.777 0.000 0.721) 5.821 4.427 ( -1.460 0.000 3.286) 3.596 4.548 ( -1.380 0.000 -8.089) 8.206 4.990 ( -2.079 0.000 -3.051) 3.692 5.004 ( -14.980 0.000 -3.181) 15.314 5.514 ( 3.238 -0.000 -9.790) 10.312 5.991 ( 8.510 -0.000 5.798) 10.298 6.221 ( -3.286 0.000 -9.779) 10.317 6.319 ( 1.653 -0.000 7.918) 8.088 6.381 ( 5.523 -0.000 -6.169) 8.280 6.768 ( 5.808 -0.000 -5.653) 8.105 6.838 ( 7.702 -0.000 10.177) 12.763 7.104 ( 5.589 -0.000 -3.454) 6.570 7.187 ( 1.377 -0.000 0.785) 1.585 7.234 ( 4.865 -0.000 3.852) 6.205 7.366 ( -1.713 0.000 9.944) 10.090 7.574 ( 2.588 -0.000 -1.814) 3.160 8.104 ( 3.563 -0.000 -5.856) 6.855 8.161 ( -1.252 0.000 6.699) 6.815 8.489 ( -6.092 0.000 0.510) 6.113 8.497 ( -1.582 0.000 8.543) 8.688 8.623 ( 2.147 -0.000 -0.456) 2.195 8.854 ( -1.156 0.000 -10.508) 10.571 8.986 ( -8.605 0.000 6.602) 10.846 8.986 ( -3.697 0.000 6.740) 7.688 9.879 ( 3.114 -0.000 -1.846) 3.620 9.958 ( 2.364 -0.000 -7.161) 7.541 10.324 ( -3.036 0.000 0.360) 3.057 10.856 ( 2.895 -0.000 1.821) 3.420 12.174 ( 3.446 -0.000 -7.202) 7.984 12.233 ( 5.521 -0.000 1.633) 5.758 12.545 ( 0.250 -0.000 1.208) 1.234 13.118 ( 1.398 -0.000 1.838) 2.309 13.504 ( 4.202 -0.000 39.155) 39.380 13.627 ( 0.315 -0.000 -6.942) 6.949 13.753 ( -3.915 0.000 -1.181) 4.089 14.020 ( -4.363 0.000 -2.050) 4.820 14.269 ( -8.180 0.000 6.767) 10.616 14.600 ( -1.723 0.000 -11.351) 11.481 14.702 ( -3.778 0.000 -0.755) 3.853 14.754 ( 5.769 -0.000 -11.912) 13.235 15.367 ( 0.123 -0.000 8.350) 8.351 15.678 ( -3.536 0.000 0.134) 3.538 15.960 ( 8.225 -0.000 18.958) 20.665 16.088 ( 5.005 -0.000 21.203) 21.786 16.570 ( 3.476 -0.000 -14.152) 14.573 17.634 ( 6.724 -0.000 -8.529) 10.861 18.084 ( 15.779 -0.000 36.140) 39.434 18.596 ( -4.145 0.000 0.395) 4.163 18.965 ( 8.772 -0.000 1.109) 8.841 19.577 ( -3.915 0.000 0.875) 4.012 19.753 ( -0.601 0.000 1.695) 1.799 20.120 ( 2.207 -0.000 -4.621) 5.121 20.557 ( 9.591 -0.000 1.943) 9.785 20.942 ( 0.745 -0.000 -1.720) 1.875 21.542 ( -12.607 0.000 -27.185) 29.966 21.614 ( -17.362 0.000 5.627) 18.251 23.447 ( 2.968 -0.000 -2.737) 4.037 23.573 ( -2.791 0.000 -9.934) 10.318 24.065 ( -1.190 0.000 2.435) 2.710 24.264 ( 0.933 -0.000 -0.801) 1.230 ======================= Grid point 162 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.183 -0.000 23.554) 23.554 0.991 ( 22.513 -0.000 23.451) 32.508 1.574 ( -16.904 0.000 31.656) 35.887 1.757 ( -0.567 0.000 -9.265) 9.282 1.768 ( -16.139 0.000 -14.645) 21.793 2.120 ( 2.243 -0.000 1.494) 2.695 2.291 ( -0.360 0.000 -1.513) 1.555 2.587 ( 2.713 -0.000 -8.390) 8.818 2.892 ( 3.826 -0.000 0.171) 3.830 2.963 ( -0.462 0.000 -4.766) 4.789 3.141 ( -6.728 0.000 0.674) 6.762 3.185 ( 8.072 -0.000 -2.852) 8.561 3.484 ( 2.027 -0.000 1.577) 2.568 3.570 ( -5.742 0.000 0.761) 5.792 3.855 ( -1.770 0.000 2.825) 3.334 3.862 ( 1.433 -0.000 3.109) 3.424 4.095 ( -2.418 0.000 3.631) 4.362 4.265 ( -0.173 0.000 2.229) 2.236 4.277 ( 1.849 -0.000 -2.229) 2.896 4.477 ( 1.179 -0.000 -4.671) 4.818 4.829 ( 1.258 -0.000 0.657) 1.419 4.966 ( 4.008 -0.000 -3.323) 5.206 5.462 ( 10.734 -0.000 -4.062) 11.476 5.538 ( -11.824 0.000 -11.882) 16.762 6.314 ( 1.937 -0.000 2.523) 3.181 6.379 ( -8.290 0.000 1.913) 8.508 6.510 ( 9.415 -0.000 0.244) 9.419 6.640 ( 1.816 -0.000 -8.089) 8.291 7.106 ( -0.537 0.000 -0.323) 0.627 7.110 ( 1.085 -0.000 0.494) 1.192 7.329 ( -3.896 0.000 6.567) 7.636 7.426 ( -5.456 0.000 4.486) 7.063 7.437 ( 0.462 -0.000 1.175) 1.263 7.577 ( 2.041 -0.000 -1.700) 2.656 8.027 ( -14.963 0.000 -2.300) 15.138 8.077 ( 12.372 -0.000 -5.289) 13.455 8.302 ( 4.212 -0.000 -0.074) 4.213 8.313 ( -5.855 0.000 -0.725) 5.900 8.777 ( 1.455 -0.000 3.750) 4.023 8.923 ( -9.009 0.000 -2.425) 9.330 8.938 ( -5.974 0.000 5.416) 8.064 9.099 ( 10.856 -0.000 -3.605) 11.439 9.677 ( -7.768 0.000 5.466) 9.498 9.869 ( 2.147 -0.000 -3.378) 4.003 10.474 ( 3.041 -0.000 7.694) 8.273 10.761 ( -3.815 0.000 -6.137) 7.226 11.882 ( -25.137 0.000 4.194) 25.484 12.093 ( 11.510 -0.000 -6.159) 13.054 12.417 ( -0.527 0.000 5.449) 5.474 12.582 ( -1.135 0.000 -0.903) 1.450 13.524 ( 6.260 -0.000 -3.899) 7.375 13.525 ( -7.249 0.000 -4.283) 8.420 13.998 ( 4.513 -0.000 2.244) 5.040 14.209 ( -6.685 0.000 -7.399) 9.971 14.293 ( -5.797 0.000 6.261) 8.533 14.507 ( -1.233 0.000 -2.756) 3.019 14.669 ( 4.548 -0.000 -1.739) 4.869 14.672 ( 11.438 -0.000 -0.313) 11.442 15.628 ( -2.132 0.000 1.275) 2.484 15.744 ( 2.020 -0.000 10.991) 11.175 15.755 ( -7.329 0.000 -5.628) 9.240 16.036 ( -4.119 0.000 -3.333) 5.298 17.130 ( -1.245 0.000 10.136) 10.212 17.549 ( 6.839 -0.000 -9.374) 11.604 18.592 ( 4.742 -0.000 2.726) 5.469 18.693 ( -29.977 0.000 -1.958) 30.041 19.187 ( 1.782 -0.000 3.511) 3.938 19.384 ( -1.460 0.000 -5.595) 5.783 19.808 ( -1.706 0.000 6.113) 6.346 20.065 ( -0.959 0.000 -5.536) 5.618 20.847 ( -0.862 0.000 1.368) 1.617 20.896 ( 6.536 -0.000 -1.820) 6.784 21.351 ( -12.027 0.000 3.263) 12.462 21.428 ( 32.562 -0.000 0.121) 32.562 23.080 ( -6.994 0.000 6.166) 9.324 23.340 ( 2.407 -0.000 -6.364) 6.804 24.146 ( -0.980 0.000 3.707) 3.834 24.252 ( 0.891 -0.000 -1.485) 1.732 ======================= Grid point 163 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 1.313 7.534 22.360) 23.632 1.279 ( -7.323 -6.706 22.128) 24.254 1.432 ( -11.938 0.212 -15.389) 19.477 1.691 ( 3.021 -3.746 -13.347) 14.188 1.899 ( 14.486 -8.144 21.765) 27.384 2.183 ( 0.335 -4.910 0.895) 5.002 2.332 ( 1.304 -7.678 -0.607) 7.812 2.616 ( 8.270 1.440 -4.831) 9.685 2.912 ( 0.775 -0.063 0.967) 1.241 2.945 ( -1.935 -1.547 -4.967) 5.551 3.056 ( -1.351 2.652 2.891) 4.149 3.279 ( 10.893 2.260 -4.443) 11.979 3.517 ( -3.901 -1.094 -0.062) 4.052 3.621 ( 8.714 -6.498 2.286) 11.108 3.865 ( -3.981 -3.116 2.170) 5.502 3.894 ( -2.145 -4.469 2.636) 5.614 4.081 ( -4.007 -2.025 1.837) 4.850 4.249 ( 2.110 6.187 5.699) 8.672 4.327 ( 4.397 -1.316 -1.300) 4.771 4.485 ( 5.395 -1.404 -7.865) 9.640 4.873 ( 4.024 -0.767 -1.607) 4.400 5.036 ( 5.732 -4.620 -3.232) 8.040 5.338 ( -9.308 -0.853 -9.634) 13.423 5.607 ( 10.940 -3.217 -2.588) 11.694 6.220 ( -8.927 4.711 1.639) 10.226 6.350 ( -3.293 -1.537 1.719) 4.020 6.558 ( 1.446 3.492 -3.446) 5.115 6.648 ( 2.070 -2.503 -4.413) 5.480 7.018 ( -6.891 6.434 2.605) 9.781 7.048 ( -3.040 4.368 -1.571) 5.549 7.305 ( 0.081 3.188 7.362) 8.023 7.396 ( -4.716 3.616 2.935) 6.628 7.437 ( 0.920 0.576 4.448) 4.578 7.597 ( 0.141 1.670 -0.171) 1.684 7.798 ( -10.325 1.606 -2.670) 10.785 8.163 ( 10.543 4.945 -4.363) 12.436 8.307 ( -4.021 -8.042 -1.062) 9.053 8.406 ( 3.820 -4.088 1.360) 5.758 8.744 ( -10.966 1.010 1.942) 11.182 8.835 ( -3.500 -5.093 1.377) 6.331 8.959 ( 0.616 -2.282 5.481) 5.969 9.214 ( 12.599 1.103 -5.246) 13.692 9.627 ( -6.407 0.293 7.571) 9.922 9.860 ( -0.025 0.027 -3.497) 3.497 10.561 ( 2.136 -0.310 8.025) 8.310 10.668 ( -4.784 -0.697 -6.746) 8.300 11.702 ( -7.003 2.573 8.115) 11.023 12.190 ( 13.628 6.602 -2.171) 15.298 12.452 ( -1.867 -3.394 4.428) 5.883 12.551 ( -4.108 -1.689 -1.258) 4.616 13.403 ( -6.209 0.828 0.252) 6.269 13.611 ( 5.546 -2.831 -3.841) 7.316 14.058 ( 2.824 3.182 1.880) 4.651 14.113 ( -0.134 -0.784 -5.026) 5.088 14.257 ( -3.827 2.067 6.081) 7.477 14.480 ( -1.423 -1.443 -1.816) 2.721 14.678 ( 3.658 4.554 -2.194) 6.240 14.788 ( 9.320 -0.674 -5.512) 10.849 15.600 ( -5.020 -0.954 6.035) 7.907 15.701 ( -8.992 -8.556 -1.088) 12.460 15.846 ( 4.254 0.139 10.497) 11.328 16.010 ( -0.229 -2.766 -5.478) 6.141 17.127 ( -5.104 -0.227 6.276) 8.093 17.518 ( 4.004 5.677 -10.617) 12.687 18.411 ( -16.126 0.440 7.978) 17.997 18.699 ( 7.100 0.893 6.560) 9.708 19.209 ( -5.618 -2.872 4.970) 8.032 19.335 ( -2.447 -1.449 -6.965) 7.523 19.786 ( 4.696 9.272 8.948) 13.714 19.998 ( 0.026 5.945 -7.639) 9.679 20.543 ( -15.545 13.060 1.307) 20.345 20.958 ( 3.312 -2.013 -5.806) 6.981 21.300 ( -7.265 -4.237 3.048) 8.945 21.970 ( 23.849 -18.689 -8.184) 31.385 23.106 ( 1.337 -1.794 5.465) 5.905 23.368 ( 4.047 -3.579 -6.132) 8.172 24.160 ( -1.208 -0.307 3.064) 3.308 24.259 ( 1.748 -0.333 -1.605) 2.396 ======================= Grid point 164 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.471 1.140 14.493) 14.612 1.177 ( -5.931 -2.801 -7.169) 9.716 1.498 ( -4.123 -7.546 12.118) 14.859 1.736 ( 7.474 -5.040 -6.768) 11.272 2.183 ( 5.319 -0.867 4.918) 7.296 2.251 ( -1.201 -5.968 -0.511) 6.109 2.508 ( 2.961 -7.142 4.023) 8.716 2.644 ( 1.945 3.499 -1.339) 4.222 2.906 ( 2.600 -0.891 1.079) 2.952 2.975 ( 2.698 -4.449 -1.692) 5.472 3.091 ( 3.551 -0.633 5.401) 6.495 3.320 ( 5.075 2.590 -6.730) 8.818 3.494 ( -0.419 -0.296 -0.411) 0.657 3.803 ( -4.760 -0.010 0.485) 4.784 3.845 ( 5.345 -2.469 4.056) 7.150 3.993 ( 2.639 -6.856 4.818) 8.785 4.109 ( -1.465 -5.206 1.882) 5.727 4.252 ( 2.900 4.357 4.586) 6.959 4.415 ( 8.221 -6.179 -3.933) 11.011 4.572 ( 11.795 -3.721 -7.358) 14.391 4.939 ( 6.416 -1.743 -1.871) 6.907 5.165 ( 6.236 -5.879 -3.545) 9.275 5.219 ( -6.441 -2.825 -5.447) 8.897 5.760 ( 8.427 -2.720 -2.618) 9.234 6.065 ( -9.098 2.048 1.413) 9.432 6.309 ( -5.798 0.151 0.745) 5.848 6.452 ( -6.344 5.703 -0.059) 8.531 6.608 ( -4.746 2.017 -4.289) 6.707 6.860 ( -6.750 6.914 -1.507) 9.779 6.963 ( 0.645 3.512 0.907) 3.684 7.204 ( -5.798 8.554 -0.661) 10.355 7.378 ( 4.763 5.992 9.130) 11.914 7.447 ( -2.325 0.529 4.059) 4.707 7.537 ( 0.386 4.210 2.995) 5.181 7.757 ( -2.976 -6.741 -4.566) 8.669 8.150 ( 5.292 7.456 -4.375) 10.137 8.380 ( -1.949 -8.586 -1.033) 8.865 8.487 ( 1.738 -2.063 0.940) 2.857 8.619 ( -10.478 -1.651 2.219) 10.837 8.923 ( 1.079 -7.686 1.477) 7.900 9.026 ( 0.882 -0.851 3.698) 3.896 9.339 ( 12.120 -0.738 -2.911) 12.486 9.592 ( -4.785 0.930 6.182) 7.873 9.832 ( -1.634 -0.945 -3.628) 4.089 10.566 ( -3.888 0.081 -2.670) 4.717 10.652 ( 1.290 -1.046 4.926) 5.198 11.695 ( 2.771 3.098 6.610) 7.808 12.219 ( 8.405 9.217 1.590) 12.574 12.494 ( -2.771 -3.016 0.054) 4.097 12.544 ( -1.346 -4.932 0.883) 5.188 13.344 ( -6.772 -1.105 4.987) 8.482 13.682 ( 3.936 -1.676 -2.808) 5.117 14.045 ( 0.100 -2.670 -3.519) 4.418 14.105 ( 2.970 7.989 3.097) 9.068 14.234 ( -0.025 0.652 3.273) 3.337 14.498 ( 0.810 -3.097 -1.810) 3.677 14.631 ( 2.691 5.683 -2.514) 6.772 14.875 ( 7.689 -2.020 -6.033) 9.980 15.561 ( -6.364 2.776 5.737) 9.007 15.694 ( -10.066 -9.352 -2.098) 13.899 15.943 ( 3.548 1.109 0.939) 3.834 16.068 ( 1.612 -5.126 8.568) 10.113 17.095 ( -5.349 -4.069 -4.448) 8.059 17.412 ( 3.906 6.738 -9.243) 12.087 18.333 ( -4.910 1.498 9.518) 10.814 18.794 ( 5.923 4.670 7.005) 10.293 19.185 ( -14.443 -7.084 6.315) 17.282 19.233 ( -1.723 7.228 -9.687) 12.209 19.710 ( -7.518 8.344 -6.406) 12.930 19.886 ( 13.708 10.275 5.238) 17.914 20.349 ( -9.008 -2.643 6.899) 11.650 20.956 ( 3.491 1.046 -9.030) 9.738 21.292 ( -9.201 -6.527 3.857) 11.922 22.383 ( 14.710 -15.011 -5.702) 21.777 23.166 ( 0.694 -0.932 2.628) 2.874 23.452 ( 5.942 -3.851 -4.388) 8.330 24.147 ( -2.432 1.491 2.326) 3.681 24.285 ( 2.642 -0.800 -1.936) 3.372 ======================= Grid point 165 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 3.626 -4.751 -0.984) 6.057 1.281 ( 7.029 -3.243 6.938) 10.394 1.576 ( -3.782 -5.360 7.687) 10.106 1.902 ( 3.521 -8.802 -0.176) 9.481 2.175 ( -1.466 3.855 -1.824) 4.509 2.291 ( -4.639 -3.749 0.243) 5.969 2.511 ( -0.727 4.939 -1.569) 5.233 2.643 ( -1.463 -2.872 5.215) 6.131 3.003 ( 5.522 0.618 4.516) 7.160 3.086 ( 4.580 -6.643 -2.832) 8.551 3.147 ( -1.193 2.149 1.738) 3.011 3.294 ( 2.925 0.437 -4.953) 5.769 3.516 ( 2.579 -1.080 0.142) 2.800 3.699 ( -5.131 2.585 0.060) 5.746 3.925 ( 1.082 -0.137 1.789) 2.096 4.099 ( -1.381 4.849 9.641) 10.879 4.192 ( 5.092 -6.795 -4.418) 9.572 4.269 ( 3.598 1.614 3.435) 5.229 4.678 ( 14.634 -13.180 -5.297) 20.394 4.809 ( 17.601 -8.029 -3.304) 19.626 5.059 ( 6.175 -3.822 2.117) 7.564 5.169 ( -3.389 -2.236 -1.977) 4.516 5.299 ( 5.799 -6.060 -2.562) 8.770 5.802 ( -3.638 0.223 -3.583) 5.111 5.991 ( -1.469 -0.757 0.612) 1.762 6.219 ( -9.037 -0.541 0.822) 9.090 6.278 ( -7.038 6.760 1.540) 9.880 6.466 ( -6.301 3.014 -5.663) 8.992 6.647 ( -6.446 9.163 -4.021) 11.902 6.901 ( -2.649 6.746 -0.230) 7.251 7.088 ( 1.160 2.603 1.966) 3.462 7.362 ( 0.990 6.627 6.560) 9.377 7.489 ( -0.577 -3.967 3.988) 5.655 7.531 ( 4.055 4.953 2.921) 7.036 7.760 ( -4.521 -2.591 -1.918) 5.553 8.097 ( 3.777 3.000 -4.859) 6.847 8.424 ( -1.210 1.770 -1.768) 2.779 8.495 ( -3.034 -5.729 -3.083) 7.179 8.609 ( -3.976 -6.602 4.740) 9.048 9.021 ( -0.539 -0.116 0.993) 1.136 9.064 ( 2.427 -3.921 1.807) 4.952 9.478 ( 5.650 -0.807 1.839) 5.996 9.578 ( 1.075 -0.898 2.276) 2.673 9.799 ( -2.695 -1.382 -3.399) 4.553 10.516 ( -2.063 -0.031 -0.830) 2.224 10.708 ( 0.767 -0.573 5.122) 5.211 11.737 ( 4.690 3.420 4.350) 7.253 12.199 ( 4.223 6.834 2.128) 8.311 12.501 ( -2.689 -5.029 -1.355) 5.862 12.618 ( 0.761 -4.149 1.907) 4.629 13.302 ( -7.937 0.940 9.669) 12.545 13.724 ( 1.337 -2.973 -2.542) 4.134 13.996 ( -0.854 7.621 0.496) 7.684 14.122 ( 2.896 -3.564 -1.409) 4.804 14.282 ( 4.550 -0.979 2.646) 5.354 14.537 ( 2.860 -0.594 -2.624) 3.927 14.575 ( 0.347 3.427 -1.895) 3.931 14.958 ( 5.769 -2.814 -5.820) 8.665 15.431 ( -7.308 6.599 1.468) 9.955 15.675 ( -9.353 -7.672 -0.449) 12.106 15.958 ( 5.063 1.439 -5.086) 7.319 16.195 ( -2.782 0.466 18.930) 19.139 17.083 ( 1.094 -8.444 -13.613) 16.057 17.347 ( 3.057 2.783 -6.478) 7.685 18.327 ( 0.566 3.790 6.828) 7.829 18.740 ( -13.065 4.060 -6.988) 15.363 18.948 ( 7.631 19.787 -5.458) 21.899 19.193 ( -10.197 -7.701 8.889) 15.566 19.558 ( -2.017 -0.538 -4.833) 5.265 20.002 ( 11.506 5.082 7.507) 14.648 20.372 ( -8.237 -6.173 10.629) 14.797 20.929 ( 5.009 1.705 -9.721) 11.068 21.286 ( -8.187 -5.652 4.114) 10.765 22.671 ( 9.563 -9.294 -3.742) 13.850 23.196 ( -0.625 -2.330 2.248) 3.298 23.545 ( 5.309 -2.487 -2.918) 6.549 24.087 ( -3.937 3.292 1.854) 5.456 24.314 ( 3.057 0.003 -2.424) 3.902 ======================= Grid point 166 (75/140) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 3.320 -5.525 1.947) 6.733 1.423 ( 2.256 -1.531 5.435) 6.080 1.667 ( -0.153 -3.745 6.389) 7.408 1.920 ( -4.486 0.895 -7.654) 8.917 2.148 ( -1.195 -2.327 1.403) 2.968 2.271 ( 1.456 -0.105 1.900) 2.396 2.447 ( -0.768 2.992 0.339) 3.107 2.721 ( 1.476 -3.205 5.682) 6.689 3.031 ( -2.237 1.494 -4.460) 5.208 3.075 ( 1.713 5.802 4.243) 7.389 3.196 ( 2.261 -4.421 -2.325) 5.483 3.299 ( 0.143 -1.051 -2.625) 2.832 3.565 ( 1.223 -0.738 2.254) 2.668 3.624 ( -0.561 2.818 -1.540) 3.260 3.923 ( -1.896 2.693 2.566) 4.176 4.044 ( -4.526 3.360 9.022) 10.639 4.276 ( 2.438 6.877 4.097) 8.367 4.327 ( 5.998 -7.763 -7.624) 12.424 4.968 ( 2.976 -2.145 0.283) 3.679 5.024 ( 13.870 -6.490 -7.430) 17.021 5.159 ( 0.416 1.700 -2.996) 3.469 5.259 ( 6.221 -9.318 8.072) 13.809 5.444 ( 9.470 -3.566 -1.236) 10.195 5.677 ( -11.560 -3.191 -4.087) 12.670 5.987 ( -0.650 0.830 1.026) 1.471 6.105 ( -7.604 2.988 0.058) 8.170 6.181 ( 0.032 0.801 0.178) 0.821 6.343 ( -4.820 -1.679 -6.781) 8.487 6.447 ( -2.455 7.234 -3.085) 8.238 6.784 ( -2.548 3.526 -1.167) 4.504 7.118 ( 3.830 2.521 4.381) 6.342 7.350 ( -0.589 -0.230 2.208) 2.297 7.502 ( 1.254 7.671 5.763) 9.676 7.561 ( -0.521 -3.245 1.789) 3.742 7.723 ( -1.925 -1.219 0.891) 2.446 8.105 ( 3.129 -1.681 -6.653) 7.541 8.334 ( -2.134 3.914 -1.454) 4.689 8.531 ( -0.871 -4.878 -4.645) 6.792 8.691 ( -3.331 -7.458 5.395) 9.789 8.974 ( -0.966 4.056 -1.102) 4.313 9.156 ( 1.098 -2.872 2.260) 3.816 9.497 ( -1.929 1.682 5.525) 6.089 9.676 ( 6.817 -2.429 -1.890) 7.479 9.760 ( -3.044 -1.103 -2.620) 4.165 10.496 ( -0.915 0.951 1.384) 1.912 10.749 ( 0.078 -0.835 4.075) 4.160 11.774 ( 3.831 1.724 1.911) 4.615 12.182 ( 1.971 3.065 1.681) 4.013 12.539 ( -0.059 -3.698 -1.235) 3.899 12.682 ( -1.967 -4.865 1.425) 5.438 13.240 ( -8.764 2.617 13.852) 16.599 13.773 ( 0.315 -3.761 -1.239) 3.973 13.902 ( 0.910 4.981 -1.216) 5.207 14.167 ( 0.651 -1.985 -3.969) 4.485 14.411 ( 5.935 -4.111 4.238) 8.372 14.516 ( 1.824 4.622 -1.629) 5.229 14.558 ( -0.951 -2.199 -2.460) 3.434 14.998 ( 3.102 -0.169 -8.380) 8.937 15.261 ( -5.582 5.854 0.648) 8.115 15.662 ( -6.430 -4.869 1.815) 8.267 15.973 ( 4.358 1.070 -4.992) 6.713 16.218 ( -3.985 4.792 17.954) 19.005 17.180 ( 7.957 -6.266 -11.214) 15.111 17.326 ( 1.968 -1.586 -6.635) 7.100 18.322 ( -5.455 2.878 -6.064) 8.649 18.354 ( -6.487 9.332 -6.591) 13.138 18.888 ( 8.925 10.134 3.542) 13.961 19.232 ( -5.556 -5.594 5.597) 9.669 19.561 ( -0.177 -3.823 -1.801) 4.229 20.108 ( 6.881 2.444 5.113) 8.914 20.393 ( -9.581 -3.594 11.075) 15.078 20.926 ( 6.774 1.805 -8.444) 10.975 21.291 ( -5.597 -4.406 4.320) 8.331 22.804 ( 3.683 -1.783 -3.664) 5.492 23.251 ( -0.415 -3.611 3.310) 4.916 23.612 ( 3.985 -1.767 -3.209) 5.413 24.002 ( -4.251 2.589 2.188) 5.438 24.327 ( 2.988 1.449 -2.727) 4.297 ======================= Grid point 167 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -3.643 8.125 4.180) 9.837 1.490 ( -1.593 -1.129 3.599) 4.095 1.689 ( 1.794 0.491 2.124) 2.823 1.850 ( -1.655 -3.391 -6.528) 7.540 2.172 ( -3.700 -4.338 3.500) 6.691 2.320 ( 7.801 3.918 -1.781) 8.910 2.447 ( -0.107 -1.661 4.192) 4.510 2.798 ( 1.831 0.497 2.095) 2.826 2.943 ( -1.181 2.376 -3.852) 4.677 3.033 ( -0.880 6.526 5.223) 8.405 3.221 ( -0.406 -1.651 -2.740) 3.225 3.294 ( -2.907 -1.396 -2.216) 3.913 3.588 ( 1.910 1.732 -2.337) 3.480 3.614 ( 2.051 -2.452 1.483) 3.524 3.808 ( -7.278 8.285 4.370) 11.862 4.025 ( -6.897 -0.176 10.857) 12.864 4.195 ( -0.386 8.876 4.612) 10.010 4.460 ( 6.971 -5.824 -8.318) 12.317 4.892 ( -4.555 5.421 -1.191) 7.181 4.989 ( -7.098 9.162 -0.850) 11.621 5.234 ( -0.006 -2.567 -3.369) 4.236 5.378 ( 2.903 0.817 1.214) 3.251 5.549 ( -13.480 -2.365 -6.086) 14.978 5.641 ( 14.813 -2.826 -0.806) 15.101 6.001 ( 1.463 -1.636 -0.977) 2.403 6.067 ( -1.012 -6.899 2.160) 7.300 6.186 ( 1.928 1.037 -0.265) 2.205 6.308 ( 4.751 -1.649 -6.197) 7.981 6.413 ( 2.078 -3.410 -0.871) 4.088 6.756 ( -0.949 -3.756 -0.010) 3.874 7.156 ( 5.635 4.671 3.097) 7.947 7.336 ( -2.514 0.971 -0.849) 2.826 7.468 ( -0.931 2.340 8.602) 8.963 7.589 ( -3.602 -3.355 1.987) 5.308 7.772 ( 4.069 -2.278 0.443) 4.684 8.108 ( 0.147 -2.321 -8.361) 8.679 8.293 ( 1.552 0.736 0.728) 1.866 8.535 ( -0.284 -1.336 -4.933) 5.119 8.781 ( -3.100 -7.223 5.031) 9.332 8.893 ( -1.256 4.309 -1.479) 4.725 9.172 ( -1.239 2.540 1.774) 3.337 9.472 ( -3.344 2.845 5.281) 6.868 9.731 ( -1.588 -1.784 -2.115) 3.190 9.751 ( 4.315 -0.366 -2.666) 5.085 10.475 ( -1.081 2.270 2.361) 3.449 10.787 ( 0.240 -1.501 2.652) 3.057 11.820 ( 3.027 -1.870 -0.691) 3.625 12.192 ( 0.185 -0.995 1.959) 2.205 12.551 ( 0.236 1.279 -1.854) 2.265 12.709 ( -6.200 -6.118 0.085) 8.711 13.215 ( -6.722 -0.003 17.516) 18.762 13.777 ( -0.746 1.378 -0.058) 1.568 13.913 ( 3.881 -2.942 -2.399) 5.428 14.146 ( -2.279 -0.268 -4.246) 4.826 14.478 ( 1.842 3.332 -0.391) 3.828 14.502 ( -1.453 -2.800 -4.505) 5.500 14.597 ( 1.959 -2.890 4.148) 5.422 14.918 ( 0.447 5.515 -10.273) 11.668 15.193 ( -1.158 -0.124 3.329) 3.527 15.668 ( -3.856 -3.135 3.830) 6.274 15.964 ( 2.195 2.199 -4.422) 5.404 16.240 ( 0.116 2.945 16.189) 16.455 17.166 ( 2.062 9.051 -9.133) 13.023 17.411 ( 8.239 -5.945 -10.764) 14.802 18.033 ( -5.689 3.916 -3.101) 7.571 18.400 ( 4.031 -4.427 -0.704) 6.028 18.900 ( 3.051 3.206 3.488) 5.635 19.260 ( -1.743 -2.398 1.478) 3.312 19.607 ( 1.049 -3.083 -1.996) 3.820 20.170 ( 2.931 0.898 2.296) 3.830 20.382 ( -7.449 -1.429 11.778) 14.009 20.933 ( 6.055 2.244 -8.102) 10.361 21.311 ( -2.904 -2.660 3.737) 5.429 22.782 ( -1.649 3.533 -3.080) 4.969 23.279 ( -1.846 0.858 2.360) 3.117 23.651 ( 2.813 -1.326 -4.989) 5.879 23.971 ( -2.149 -1.962 3.895) 4.862 24.317 ( 2.523 2.759 -2.679) 4.600 ======================= Grid point 168 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -5.722 12.524 5.393) 14.788 1.319 ( -12.403 12.298 -0.168) 17.468 1.803 ( 3.106 -2.866 -0.433) 4.249 1.884 ( 7.076 -4.756 -1.308) 8.625 2.178 ( -4.845 -1.322 0.693) 5.069 2.348 ( 3.395 3.663 -0.754) 5.051 2.511 ( 3.001 -4.138 0.745) 5.165 2.681 ( -9.525 13.666 7.272) 18.176 2.912 ( 2.079 4.161 0.443) 4.672 2.973 ( -2.916 1.654 0.747) 3.434 3.219 ( -7.032 -3.074 -1.462) 7.813 3.257 ( 2.421 -1.749 -2.193) 3.706 3.551 ( -5.846 5.402 -2.031) 8.215 3.621 ( 2.619 1.239 2.251) 3.669 3.738 ( 4.572 0.442 2.949) 5.459 3.975 ( -9.158 4.019 14.524) 17.635 4.146 ( -0.012 1.229 2.216) 2.533 4.518 ( 1.289 -0.929 -6.659) 6.846 4.713 ( -5.187 8.499 -6.591) 11.941 4.780 ( -8.778 7.315 1.221) 11.492 5.093 ( -9.204 5.643 0.505) 10.808 5.271 ( -15.192 3.997 -4.439) 16.324 5.445 ( 7.218 3.822 -8.812) 12.015 5.833 ( 10.276 -2.837 -2.195) 10.884 6.032 ( -2.232 -4.927 -3.699) 6.553 6.158 ( 1.320 -5.167 -0.877) 5.404 6.270 ( 5.575 -3.029 5.629) 8.482 6.438 ( 13.450 -3.732 -4.778) 14.753 6.549 ( 5.072 -9.268 1.585) 10.683 6.851 ( 0.029 -9.731 1.478) 9.843 7.151 ( 3.740 5.622 -1.473) 6.911 7.316 ( 0.169 -0.068 4.147) 4.151 7.479 ( -3.333 0.356 6.166) 7.019 7.597 ( -2.305 -1.134 3.553) 4.384 7.856 ( 4.023 -3.275 -4.037) 6.573 8.095 ( -0.707 -4.472 -6.648) 8.043 8.345 ( 3.089 -1.586 2.485) 4.270 8.501 ( -0.921 0.637 -4.437) 4.576 8.791 ( 1.107 4.612 -4.597) 6.605 8.891 ( -3.183 -6.328 7.428) 10.264 9.091 ( -2.164 6.870 1.125) 7.290 9.381 ( -7.314 5.416 4.559) 10.179 9.753 ( 1.722 -2.980 -2.162) 4.065 9.771 ( 2.109 0.290 -3.191) 3.835 10.438 ( -1.430 3.247 2.858) 4.556 10.825 ( 0.825 -1.687 0.356) 1.912 11.885 ( 1.958 -4.628 -3.400) 6.068 12.239 ( -2.408 -6.083 2.419) 6.976 12.498 ( -0.417 3.789 -2.327) 4.466 12.686 ( -8.989 -5.544 -1.236) 10.633 13.280 ( -3.978 -2.927 16.542) 17.263 13.757 ( -0.172 0.342 0.005) 0.383 14.009 ( 4.634 -3.945 0.933) 6.157 14.073 ( -4.816 0.412 -3.179) 5.786 14.457 ( 1.225 0.984 -7.374) 7.540 14.473 ( -2.860 -0.922 1.654) 3.430 14.619 ( -0.130 2.847 -4.650) 5.454 14.810 ( -0.451 3.481 -2.454) 4.282 15.259 ( 2.791 -3.306 6.451) 7.768 15.686 ( -3.822 -1.805 6.232) 7.530 15.928 ( 2.256 2.008 -6.113) 6.818 16.353 ( 4.489 -0.158 17.826) 18.383 16.924 ( -2.451 15.339 -12.668) 20.044 17.459 ( 6.316 -0.231 -13.394) 14.810 18.134 ( 10.648 -7.292 14.451) 19.375 18.515 ( 2.170 -6.399 -2.208) 7.109 18.930 ( -0.675 -3.693 2.214) 4.359 19.276 ( -0.695 -1.741 0.313) 1.900 19.619 ( 0.322 -0.091 -4.786) 4.797 20.188 ( 0.866 0.867 -0.540) 1.339 20.415 ( -2.678 -2.533 12.616) 13.144 20.909 ( 4.074 2.842 -10.209) 11.353 21.328 ( -0.109 0.275 2.648) 2.665 22.617 ( -7.135 11.475 -2.815) 13.802 23.231 ( -3.171 1.586 1.110) 3.715 23.650 ( 1.769 0.305 -7.722) 7.928 24.039 ( -0.030 -4.979 5.070) 7.106 24.287 ( 1.756 3.523 -2.327) 4.572 ======================= Grid point 169 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -15.996 14.444 -0.819) 21.567 1.016 ( -6.626 12.217 13.522) 19.390 1.812 ( -4.079 -4.445 -5.243) 7.993 2.046 ( 7.755 4.249 6.460) 10.951 2.100 ( -3.057 2.371 -5.450) 6.683 2.221 ( -12.817 12.096 6.383) 18.744 2.398 ( -1.233 9.905 3.232) 10.491 2.667 ( 3.788 -3.354 3.337) 6.061 2.821 ( -2.324 6.822 0.846) 7.256 2.959 ( -3.870 -6.193 -0.688) 7.335 3.142 ( -6.655 -1.310 -3.457) 7.613 3.305 ( -1.919 -2.443 -2.454) 3.959 3.458 ( 1.768 0.422 -0.078) 1.820 3.696 ( 6.797 1.564 4.193) 8.138 3.786 ( 4.435 4.842 2.604) 7.064 3.883 ( -8.224 4.441 11.419) 14.756 4.162 ( -3.147 -3.888 0.976) 5.097 4.431 ( -5.826 3.638 -4.304) 8.106 4.466 ( -8.897 9.411 -3.747) 13.482 4.593 ( -4.399 4.930 -5.187) 8.400 4.967 ( -1.415 2.357 -1.938) 3.363 5.023 ( -10.708 4.171 -1.853) 11.640 5.415 ( 8.207 6.285 -8.858) 13.613 5.888 ( -4.540 -4.011 -9.789) 11.512 6.090 ( 7.466 -1.642 1.741) 7.840 6.243 ( 2.352 -4.888 -0.333) 5.434 6.411 ( 4.063 -2.702 4.899) 6.914 6.609 ( 10.645 -1.577 -5.202) 11.953 6.770 ( 5.976 -10.618 2.689) 12.477 7.001 ( 0.220 -9.323 2.172) 9.575 7.136 ( 2.672 -1.200 -1.115) 3.134 7.370 ( 1.546 -0.270 6.356) 6.547 7.456 ( -4.718 -0.545 4.218) 6.352 7.603 ( 1.656 2.455 2.613) 3.950 7.901 ( 3.956 -2.925 -9.076) 10.324 8.124 ( -3.996 -7.404 -3.033) 8.944 8.393 ( 0.114 1.947 1.063) 2.221 8.464 ( -0.849 -1.129 -2.251) 2.657 8.738 ( 5.371 3.986 -3.719) 7.653 8.953 ( 0.967 6.064 2.087) 6.486 8.996 ( -4.224 -2.297 4.919) 6.879 9.224 ( -9.378 5.191 3.911) 11.410 9.765 ( -0.636 -0.916 -2.820) 3.032 9.807 ( 3.851 -1.725 -3.184) 5.286 10.401 ( -0.440 3.079 3.939) 5.019 10.847 ( 0.542 -0.988 -2.476) 2.720 11.944 ( 1.610 -5.198 -5.702) 7.882 12.301 ( -10.054 -12.183 -0.002) 15.795 12.429 ( -1.854 2.666 -1.445) 3.554 12.625 ( -5.693 -1.480 -1.966) 6.202 13.365 ( -2.102 -3.751 8.364) 9.405 13.752 ( -0.784 0.519 -0.749) 1.202 13.990 ( -4.135 0.109 -2.031) 4.608 14.159 ( 4.499 -5.866 7.700) 10.675 14.396 ( -2.980 -0.810 -6.808) 7.475 14.469 ( -1.410 0.129 0.524) 1.509 14.530 ( 2.355 3.876 -5.874) 7.421 14.747 ( -1.660 3.979 -0.557) 4.347 15.408 ( 4.706 -3.943 9.030) 10.919 15.691 ( -5.121 -1.076 7.882) 9.461 15.900 ( 3.005 0.786 -8.064) 8.641 16.530 ( 1.544 11.293 5.348) 12.590 16.650 ( 1.961 -2.092 1.782) 3.376 17.467 ( 6.877 -0.094 -10.432) 12.495 18.561 ( -0.381 -2.468 -1.749) 3.049 18.591 ( 20.506 -12.830 20.813) 31.911 19.015 ( -1.547 -9.100 -0.333) 9.237 19.299 ( -2.923 -4.843 2.114) 6.039 19.563 ( -2.184 1.430 -5.298) 5.906 20.164 ( -0.466 1.132 -3.111) 3.343 20.535 ( 2.095 -5.089 10.145) 11.542 20.822 ( 1.611 4.778 -14.118) 14.991 21.336 ( 4.756 5.089 2.031) 7.255 22.252 ( -12.978 21.998 -2.843) 25.699 23.194 ( -4.571 -2.123 1.171) 5.174 23.579 ( -0.048 4.134 -10.671) 11.444 24.129 ( -0.060 -3.027 4.524) 5.444 24.247 ( 1.073 2.512 -1.772) 3.256 ======================= Grid point 170 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 2.010 5.887 17.056) 18.155 0.933 ( -3.350 7.805 21.413) 23.036 1.732 ( -16.618 4.261 14.177) 22.256 1.861 ( -11.882 5.315 3.843) 13.572 1.993 ( -4.580 2.955 -9.995) 11.385 2.111 ( 4.713 5.825 1.591) 7.660 2.335 ( 0.874 5.038 -0.332) 5.124 2.654 ( -3.377 1.105 -5.725) 6.738 2.817 ( 5.643 0.177 1.454) 5.830 3.013 ( 0.572 -1.300 -3.455) 3.736 3.071 ( -6.049 -7.705 -1.018) 9.848 3.254 ( -5.403 0.199 -1.707) 5.669 3.488 ( 1.557 1.235 -0.317) 2.013 3.680 ( -5.795 6.707 3.649) 9.585 3.802 ( 5.287 1.706 4.594) 7.209 3.860 ( 2.562 4.029 6.095) 7.742 4.129 ( -6.502 -0.678 -0.729) 6.578 4.276 ( -4.822 0.179 -0.002) 4.825 4.314 ( -2.689 1.699 -4.942) 5.877 4.498 ( -0.213 1.616 -2.949) 3.370 4.870 ( -4.761 3.592 1.224) 6.088 4.951 ( 3.257 1.195 -3.354) 4.826 5.400 ( 9.303 4.341 -7.268) 12.578 5.752 ( -10.583 -1.304 -12.054) 16.094 6.229 ( 7.169 -1.368 2.727) 7.791 6.346 ( 3.227 -5.797 0.098) 6.635 6.470 ( 0.614 2.112 2.985) 3.708 6.662 ( 4.274 1.349 -6.439) 7.845 6.988 ( 4.999 -8.917 1.506) 10.334 7.090 ( 2.041 -2.274 -0.711) 3.138 7.252 ( -0.020 -7.986 5.642) 9.778 7.415 ( 0.669 1.355 5.525) 5.728 7.444 ( -4.386 -3.701 1.981) 6.071 7.600 ( 2.933 4.085 -0.995) 5.126 7.955 ( 7.876 -3.247 -8.453) 12.001 8.127 ( -9.183 -7.419 -1.364) 11.884 8.328 ( -1.208 3.700 -2.267) 4.505 8.431 ( -3.390 3.040 -1.444) 4.777 8.755 ( 4.922 4.854 0.775) 6.956 8.919 ( 7.954 1.948 -1.507) 8.327 9.002 ( -7.990 -1.363 5.539) 9.818 9.091 ( -6.148 1.615 1.453) 6.521 9.738 ( -4.639 -1.123 -0.454) 4.794 9.848 ( 3.680 -0.556 -3.521) 5.124 10.408 ( 1.879 1.585 5.976) 6.462 10.828 ( -1.260 -0.034 -4.766) 4.930 12.002 ( 5.100 -3.817 -7.112) 9.548 12.198 ( -30.797 -11.332 -4.980) 33.191 12.395 ( 2.560 3.513 4.046) 5.938 12.590 ( 1.065 1.172 -0.658) 1.715 13.438 ( 1.253 -4.871 -0.172) 5.032 13.677 ( -3.303 4.345 -5.255) 7.576 13.957 ( -0.212 -0.473 0.086) 0.525 14.303 ( -5.179 -4.868 5.999) 9.301 14.327 ( -5.206 -1.370 -5.305) 7.558 14.480 ( 8.237 -1.368 -2.851) 8.823 14.540 ( 2.672 -0.122 3.150) 4.133 14.667 ( 1.328 4.806 -2.140) 5.426 15.566 ( 4.401 -2.975 6.669) 8.526 15.691 ( -5.014 -1.528 8.612) 10.081 15.869 ( 1.139 1.467 -8.477) 8.678 16.229 ( -7.611 11.871 -8.755) 16.598 16.954 ( 7.095 -9.323 15.676) 19.571 17.502 ( 7.416 -0.740 -9.382) 11.982 18.554 ( 0.144 -0.288 -0.576) 0.660 19.021 ( -14.435 -6.881 -8.747) 18.227 19.089 ( 8.729 -5.622 5.850) 11.918 19.424 ( 6.708 0.979 -1.473) 6.938 19.566 ( -2.588 -21.951 12.604) 25.444 20.117 ( -1.891 -0.280 -5.143) 5.487 20.676 ( 9.211 1.927 -3.225) 9.948 20.732 ( 5.642 -2.260 -0.279) 6.085 21.336 ( 12.668 13.289 1.618) 18.430 21.719 ( -18.712 24.407 2.631) 30.867 23.163 ( -9.150 -2.922 2.334) 9.884 23.420 ( -0.488 7.351 -9.359) 11.911 24.149 ( -1.329 1.306 3.660) 4.107 24.244 ( 1.008 -0.658 -1.232) 1.723 ======================= Grid point 172 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -5.726 0.000 -12.458) 13.711 1.234 ( -13.202 0.000 28.982) 31.848 1.415 ( 6.994 -0.000 13.609) 15.301 1.659 ( 8.802 -0.000 -14.730) 17.159 2.159 ( -1.713 0.000 2.095) 2.706 2.194 ( 9.947 -0.000 0.526) 9.961 2.362 ( 15.994 -0.000 13.805) 21.128 2.741 ( 12.487 -0.000 -3.863) 13.071 2.882 ( -2.358 0.000 -5.209) 5.718 2.918 ( -0.433 0.000 0.862) 0.965 3.072 ( 2.030 -0.000 1.359) 2.443 3.359 ( 3.790 -0.000 -4.138) 5.611 3.614 ( 12.257 -0.000 -0.970) 12.295 3.638 ( 2.305 -0.000 1.534) 2.769 3.819 ( -2.543 0.000 0.749) 2.651 3.860 ( 3.845 -0.000 3.649) 5.301 4.041 ( -2.758 0.000 3.945) 4.813 4.330 ( 1.270 -0.000 -0.657) 1.429 4.376 ( 1.881 -0.000 6.132) 6.413 4.519 ( 10.577 -0.000 -7.652) 13.055 4.927 ( 6.953 -0.000 -4.509) 8.287 5.041 ( 3.073 -0.000 0.503) 3.114 5.172 ( -4.701 0.000 -11.769) 12.673 5.715 ( 9.381 -0.000 0.338) 9.387 6.119 ( -12.154 0.000 1.400) 12.235 6.303 ( -5.259 0.000 3.526) 6.332 6.545 ( -1.065 0.000 -9.379) 9.439 6.625 ( -3.722 0.000 0.574) 3.766 6.960 ( -9.052 0.000 4.664) 10.183 7.019 ( -4.769 0.000 -1.463) 4.988 7.360 ( 1.359 -0.000 3.342) 3.608 7.429 ( -1.813 0.000 1.279) 2.218 7.438 ( -2.403 0.000 4.559) 5.154 7.623 ( 3.238 -0.000 -2.138) 3.880 7.701 ( -6.471 0.000 0.578) 6.496 8.177 ( -3.285 0.000 1.226) 3.506 8.297 ( 5.431 -0.000 -1.484) 5.630 8.446 ( 1.587 -0.000 2.519) 2.977 8.647 ( -5.016 0.000 -0.304) 5.025 8.767 ( -1.234 0.000 0.869) 1.509 9.000 ( 1.771 -0.000 6.652) 6.884 9.346 ( 12.772 -0.000 -6.492) 14.328 9.611 ( -3.948 0.000 7.002) 8.039 9.821 ( -2.285 0.000 -3.755) 4.396 10.560 ( -4.470 0.000 -6.075) 7.542 10.638 ( 1.882 -0.000 8.208) 8.421 11.742 ( 2.157 -0.000 7.445) 7.751 12.398 ( -5.931 0.000 5.497) 8.087 12.439 ( 9.992 -0.000 0.928) 10.035 12.458 ( -0.882 0.000 -1.574) 1.805 13.310 ( -6.682 0.000 -0.506) 6.701 13.682 ( 8.366 -0.000 -1.084) 8.436 13.996 ( -4.049 0.000 -5.699) 6.991 14.209 ( 4.735 -0.000 5.357) 7.150 14.292 ( 1.958 -0.000 5.385) 5.730 14.416 ( -4.631 0.000 -0.952) 4.728 14.744 ( 3.677 -0.000 -3.941) 5.390 14.849 ( 8.072 -0.000 -9.370) 12.367 15.551 ( -6.508 0.000 4.330) 7.817 15.565 ( -4.935 0.000 5.716) 7.552 15.942 ( 2.543 -0.000 8.183) 8.569 15.981 ( 2.065 -0.000 -4.869) 5.289 17.044 ( -11.979 0.000 7.381) 14.071 17.517 ( 1.183 -0.000 -13.871) 13.922 18.342 ( -5.188 0.000 11.680) 12.781 18.878 ( 9.501 -0.000 11.691) 15.065 19.081 ( -15.949 0.000 4.624) 16.606 19.244 ( -2.888 0.000 -7.559) 8.092 19.908 ( -2.849 0.000 5.896) 6.548 19.996 ( -1.582 0.000 -5.047) 5.289 20.491 ( -8.189 0.000 -1.668) 8.357 20.768 ( -4.905 0.000 -4.442) 6.617 21.411 ( 8.303 -0.000 -3.253) 8.918 22.021 ( 15.565 -0.000 -5.086) 16.375 23.179 ( 6.056 -0.000 1.815) 6.322 23.369 ( 4.149 -0.000 -2.376) 4.781 24.162 ( -1.559 0.000 3.030) 3.408 24.269 ( 2.295 -0.000 -1.922) 2.994 ======================= Grid point 173 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 11.861 -2.759 -6.330) 13.724 1.294 ( -2.031 -0.705 22.892) 22.992 1.539 ( 5.365 4.952 6.726) 9.926 1.743 ( 9.600 -4.542 -6.338) 12.368 2.151 ( -4.806 -3.180 2.432) 6.255 2.222 ( 1.951 -1.169 -6.396) 6.788 2.657 ( 13.187 3.360 10.503) 17.190 2.730 ( 0.723 8.778 -3.579) 9.507 2.928 ( 4.402 -5.471 -5.101) 8.679 2.953 ( 4.533 -2.617 3.279) 6.177 3.150 ( 5.236 -2.125 3.084) 6.438 3.359 ( 2.874 2.927 -2.585) 4.848 3.559 ( -0.924 4.242 -1.322) 4.538 3.752 ( 1.283 1.495 -1.668) 2.582 3.859 ( 7.535 -4.539 -3.649) 9.524 4.051 ( 1.740 -2.127 4.288) 5.093 4.088 ( 11.693 -5.918 7.282) 14.993 4.362 ( 1.988 0.061 3.756) 4.250 4.414 ( 3.380 -0.389 1.302) 3.643 4.655 ( 15.586 -2.898 -6.214) 17.027 4.991 ( 8.023 -1.287 -5.417) 9.765 5.049 ( -6.258 -3.193 -0.616) 7.052 5.165 ( 7.469 -4.670 -5.928) 10.617 5.799 ( 0.436 -0.663 -0.239) 0.829 5.999 ( -4.716 1.035 2.467) 5.422 6.233 ( -9.608 0.717 4.417) 10.599 6.431 ( -4.832 3.956 -6.113) 8.739 6.530 ( -8.594 1.197 -1.390) 8.788 6.854 ( -6.454 6.001 0.344) 8.820 6.969 ( -2.393 -1.725 0.623) 3.015 7.266 ( -3.621 10.507 -0.351) 11.119 7.394 ( -0.251 -1.715 -0.050) 1.734 7.540 ( 0.453 -6.921 1.678) 7.136 7.608 ( -1.701 5.475 0.895) 5.802 7.662 ( 2.498 0.793 2.273) 3.469 8.207 ( -0.012 -1.540 1.534) 2.174 8.282 ( -2.268 1.522 0.691) 2.818 8.457 ( -6.758 -5.333 3.415) 9.261 8.607 ( 5.899 6.886 -2.034) 9.293 8.842 ( 2.453 -8.134 -0.420) 8.506 9.062 ( 1.039 -0.246 5.583) 5.684 9.460 ( 10.989 0.105 -4.413) 11.842 9.604 ( -1.333 1.462 4.653) 5.056 9.770 ( -2.694 -0.792 -3.365) 4.382 10.495 ( -1.801 -1.010 -3.962) 4.467 10.704 ( 1.140 0.101 7.036) 7.129 11.819 ( 4.645 2.099 5.774) 7.702 12.318 ( -7.851 1.838 2.075) 8.326 12.371 ( -6.298 -3.177 0.846) 7.104 12.639 ( 13.283 3.003 3.689) 14.109 13.257 ( -5.789 -2.603 3.312) 7.159 13.749 ( 5.101 3.666 -0.817) 6.335 13.962 ( -1.090 -5.403 -2.729) 6.150 14.259 ( -2.074 8.183 2.545) 8.817 14.268 ( 1.839 0.236 4.251) 4.638 14.440 ( 0.926 -4.624 1.060) 4.834 14.724 ( 3.632 4.143 -5.766) 7.976 14.891 ( 6.163 -1.890 -9.174) 11.212 15.511 ( -5.336 -0.917 1.646) 5.659 15.553 ( -5.417 0.294 7.660) 9.386 15.977 ( 2.869 0.245 -4.416) 5.272 16.066 ( 1.211 -7.443 9.409) 12.057 16.938 ( -11.196 -1.374 2.892) 11.645 17.407 ( -1.246 1.176 -15.410) 15.504 18.386 ( 0.117 0.899 11.162) 11.199 18.817 ( -21.685 0.499 -4.760) 22.207 19.067 ( 3.109 1.547 13.817) 14.247 19.201 ( 1.231 -2.758 -4.668) 5.560 19.720 ( -8.253 11.975 -2.357) 14.733 20.000 ( -3.975 -6.218 0.072) 7.380 20.427 ( 8.641 10.347 5.510) 14.563 20.809 ( -0.536 -10.825 -4.982) 11.928 21.383 ( 6.326 11.201 -2.748) 13.154 22.288 ( 10.363 -15.733 -3.167) 19.104 23.220 ( 2.936 3.138 -0.155) 4.300 23.447 ( 4.249 -4.269 -0.937) 6.095 24.145 ( -3.035 1.070 2.424) 4.029 24.297 ( 3.066 -0.825 -2.187) 3.856 ======================= Grid point 174 (82/140) ======================= q-point: ( 0.33 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 11.582 0.162 2.548) 11.860 1.460 ( 13.907 4.128 2.843) 14.783 1.568 ( 0.724 -1.931 11.150) 11.339 1.870 ( 5.463 -2.560 -2.929) 6.706 2.158 ( -1.692 -3.827 2.183) 4.720 2.207 ( -2.583 -0.170 -4.046) 4.804 2.616 ( 4.142 8.175 -1.719) 9.324 2.753 ( 6.376 5.980 6.644) 10.980 2.999 ( 0.603 -4.168 -3.130) 5.248 3.063 ( 4.998 -2.548 -2.768) 6.255 3.235 ( 3.327 2.280 3.878) 5.596 3.333 ( 1.804 3.877 -0.658) 4.327 3.541 ( 2.128 -1.345 -0.063) 2.518 3.725 ( 3.414 4.647 -1.489) 5.955 3.938 ( 4.269 1.045 -2.497) 5.055 4.109 ( 0.755 -5.012 -0.207) 5.072 4.270 ( 2.936 7.340 6.357) 10.144 4.395 ( 7.070 0.666 2.242) 7.447 4.599 ( 8.117 -14.580 -3.207) 16.993 4.923 ( 18.541 -6.624 -6.732) 20.808 5.034 ( -5.352 -5.597 4.371) 8.893 5.105 ( 8.214 -3.967 -2.644) 9.497 5.322 ( 9.994 -5.230 0.525) 11.292 5.717 ( -8.815 2.304 -1.646) 9.259 6.016 ( 2.656 0.139 2.224) 3.467 6.108 ( -10.911 0.696 3.934) 11.620 6.274 ( -5.408 4.731 -2.887) 7.744 6.386 ( -7.265 2.418 -4.037) 8.656 6.658 ( -6.707 8.617 -2.800) 11.272 6.960 ( -2.096 3.456 2.083) 4.547 7.123 ( 0.304 3.964 -2.080) 4.487 7.379 ( -3.500 -0.438 -1.503) 3.834 7.552 ( 0.863 3.983 4.728) 6.242 7.623 ( -1.306 -3.324 1.385) 3.830 7.702 ( 3.801 0.927 2.090) 4.436 8.112 ( -4.088 4.283 -2.630) 6.479 8.358 ( 1.705 -5.806 2.509) 6.551 8.431 ( -6.675 -1.348 1.709) 7.021 8.601 ( 4.862 2.915 -0.875) 5.736 8.978 ( 2.239 -6.205 0.658) 6.629 9.093 ( 1.064 0.910 2.907) 3.226 9.540 ( 1.823 0.909 2.343) 3.104 9.627 ( 7.022 -0.206 -1.934) 7.287 9.738 ( -1.769 -0.796 -1.759) 2.618 10.490 ( 0.812 -1.210 -1.393) 2.016 10.746 ( 0.018 0.456 5.360) 5.380 11.848 ( 1.077 3.355 3.271) 4.808 12.209 ( -9.190 -0.932 0.380) 9.245 12.392 ( -0.622 -5.081 2.284) 5.605 12.741 ( 9.394 6.371 4.254) 12.122 13.255 ( -6.146 -2.087 7.646) 10.029 13.726 ( 0.502 2.067 -0.431) 2.170 14.042 ( 1.549 -4.251 -0.424) 4.544 14.125 ( -3.322 6.743 0.511) 7.534 14.328 ( 3.058 -1.689 3.139) 4.697 14.487 ( -0.441 -1.908 -1.730) 2.613 14.680 ( 4.471 5.303 -4.293) 8.158 14.941 ( 4.203 -3.172 -7.422) 9.100 15.428 ( -4.185 4.699 -2.536) 6.784 15.526 ( -6.702 -2.218 8.227) 10.841 15.985 ( 3.184 -0.015 -4.986) 5.916 16.248 ( -2.099 -5.880 15.816) 17.004 16.875 ( -3.271 -8.309 -8.011) 11.996 17.303 ( -2.201 -2.048 -12.074) 12.443 18.402 ( -6.813 3.159 0.866) 7.559 18.483 ( -17.217 0.388 -4.306) 17.752 19.080 ( -2.431 0.292 -3.247) 4.067 19.289 ( 11.862 7.629 8.493) 16.463 19.509 ( -4.693 4.028 0.744) 6.229 20.037 ( -5.659 -7.289 2.416) 9.539 20.453 ( 6.612 7.646 7.086) 12.344 20.925 ( 6.639 -4.328 -4.338) 9.035 21.308 ( 3.576 7.543 0.548) 8.366 22.588 ( 6.885 -14.231 -2.140) 15.953 23.198 ( -0.253 1.605 0.378) 1.669 23.541 ( 2.779 -3.861 -1.321) 4.937 24.084 ( -4.592 2.720 1.929) 5.675 24.334 ( 3.372 -0.711 -2.772) 4.423 ======================= Grid point 175 (83/140) ======================= q-point: ( 0.44 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 7.384 1.007 0.817) 7.497 1.540 ( 7.115 4.038 7.220) 10.912 1.737 ( 8.226 1.142 4.936) 9.661 1.888 ( 1.943 3.141 -5.323) 6.478 2.117 ( -3.052 1.020 -1.162) 3.421 2.275 ( 4.136 -6.132 5.165) 9.022 2.571 ( 5.828 8.207 -2.399) 10.348 2.812 ( 7.632 2.729 4.313) 9.181 2.984 ( -0.899 0.399 -5.686) 5.770 3.126 ( 1.581 -2.000 -1.660) 3.042 3.242 ( 2.370 4.451 1.790) 5.351 3.307 ( 1.454 2.667 0.226) 3.046 3.585 ( 1.293 -0.258 2.024) 2.416 3.688 ( 3.644 5.683 -3.442) 7.578 3.943 ( 0.060 1.832 2.241) 2.895 4.135 ( -3.421 7.654 8.438) 11.895 4.262 ( 5.878 -5.606 -7.210) 10.861 4.442 ( 5.923 6.791 1.300) 9.104 4.866 ( -0.575 -14.288 -1.433) 14.371 4.987 ( 0.727 -3.677 -6.799) 7.764 5.131 ( -0.274 -1.394 -3.078) 3.391 5.302 ( 6.578 -5.725 3.674) 9.462 5.526 ( -0.437 0.709 1.979) 2.147 5.590 ( 9.660 -1.703 1.609) 9.940 5.995 ( -2.701 0.969 3.135) 4.250 6.044 ( -4.265 2.304 -2.186) 5.317 6.194 ( 1.204 -1.346 0.579) 1.897 6.258 ( -3.899 1.565 -3.437) 5.428 6.465 ( -3.993 5.539 -4.069) 7.949 6.852 ( -0.634 8.878 1.052) 8.962 7.138 ( 1.273 -3.681 -1.849) 4.312 7.332 ( -3.760 -0.747 0.551) 3.873 7.559 ( -0.489 1.089 5.859) 5.979 7.580 ( -6.005 3.611 2.211) 7.348 7.767 ( 7.469 1.216 -0.346) 7.575 8.030 ( -3.327 -2.237 -4.773) 6.233 8.353 ( -1.679 2.219 -1.582) 3.201 8.480 ( 3.191 -3.391 2.594) 5.331 8.627 ( -1.169 -2.260 2.705) 3.713 9.016 ( 0.323 3.044 1.052) 3.237 9.143 ( 1.927 -2.779 1.587) 3.736 9.538 ( -0.853 2.024 3.713) 4.314 9.712 ( 1.145 -0.840 -2.587) 2.951 9.731 ( 5.470 -0.377 -1.446) 5.671 10.511 ( 1.403 0.264 0.291) 1.457 10.763 ( -0.956 0.035 3.787) 3.906 11.815 ( -2.303 1.315 0.461) 2.691 12.123 ( -9.474 -3.617 -0.045) 10.141 12.496 ( 3.718 -4.098 2.430) 6.043 12.764 ( 4.843 7.516 4.056) 9.818 13.233 ( -7.591 0.545 11.170) 13.516 13.739 ( 1.197 -2.136 0.629) 2.528 13.987 ( -0.836 6.941 -0.067) 6.991 14.099 ( -2.647 -3.271 -2.033) 4.673 14.403 ( 1.022 -2.487 -2.994) 4.024 14.501 ( 0.882 -3.525 2.059) 4.177 14.638 ( 3.694 6.404 -2.016) 7.663 14.972 ( 2.329 -1.432 -7.587) 8.064 15.288 ( -2.473 6.451 -1.509) 7.071 15.546 ( -5.401 -4.929 6.662) 9.892 15.995 ( 2.840 0.068 -4.289) 5.144 16.318 ( -4.030 1.711 14.547) 15.191 17.020 ( 5.603 -18.239 -11.087) 22.068 17.252 ( -2.817 -3.485 -8.279) 9.414 18.100 ( -17.602 1.142 -9.987) 20.270 18.414 ( -1.600 2.636 2.117) 3.740 18.989 ( -1.945 4.019 -5.169) 6.830 19.344 ( 7.906 8.012 4.307) 12.051 19.522 ( 1.906 -2.897 4.996) 6.082 20.076 ( -5.915 -6.724 3.485) 9.609 20.466 ( 3.451 6.283 6.895) 9.946 21.012 ( 9.698 2.205 -6.985) 12.153 21.296 ( 2.514 2.634 5.398) 6.511 22.767 ( 2.138 -5.354 -2.671) 6.354 23.206 ( -1.567 -3.791 2.178) 4.644 23.599 ( 1.357 -2.787 -2.306) 3.863 23.995 ( -4.813 2.939 2.402) 6.129 24.359 ( 3.234 0.313 -3.728) 4.945 ======================= Grid point 176 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.616 2.835 0.882) 5.489 1.576 ( 3.533 9.991 6.338) 12.348 1.767 ( 3.889 2.143 0.114) 4.442 1.815 ( 2.326 3.981 -2.842) 5.417 2.127 ( 0.441 -1.398 2.061) 2.530 2.425 ( 4.494 -1.966 2.509) 5.510 2.530 ( 7.280 6.286 -1.847) 9.794 2.886 ( 5.053 4.031 0.880) 6.524 2.945 ( 2.832 1.374 -3.783) 4.921 3.122 ( -1.598 0.545 -0.440) 1.745 3.196 ( -0.456 5.163 0.252) 5.189 3.284 ( 0.361 3.431 0.003) 3.450 3.620 ( 1.775 -0.295 0.056) 1.800 3.651 ( 4.780 3.311 -2.848) 6.475 3.890 ( -3.106 6.931 4.693) 8.928 4.035 ( -4.262 5.147 8.972) 11.187 4.334 ( 0.536 4.250 1.722) 4.617 4.440 ( 8.074 0.187 -7.051) 10.721 4.830 ( -9.693 0.262 -2.414) 9.993 4.973 ( -10.353 6.288 -1.889) 12.259 5.075 ( -6.241 -7.756 -2.906) 10.371 5.346 ( -6.865 0.273 -2.970) 7.485 5.506 ( 6.753 2.403 -2.312) 7.531 5.839 ( 14.390 -2.321 4.759) 15.334 5.911 ( -6.962 1.693 -4.366) 8.390 6.044 ( 4.422 -2.318 3.261) 5.963 6.244 ( 4.769 -0.283 1.432) 4.988 6.293 ( 3.917 -5.896 -0.394) 7.090 6.398 ( 2.132 -1.982 -3.907) 4.872 6.773 ( 1.888 4.402 1.355) 4.977 7.194 ( 0.675 -4.851 -3.510) 6.026 7.302 ( -3.752 0.083 0.508) 3.787 7.466 ( -7.093 1.977 5.360) 9.108 7.575 ( -1.352 0.542 6.984) 7.135 7.830 ( 6.266 -0.316 -7.655) 9.898 8.009 ( -1.221 -2.340 -2.992) 3.990 8.330 ( 2.267 0.420 -0.277) 2.322 8.549 ( 4.145 1.725 -0.767) 4.554 8.677 ( -4.263 -6.879 7.025) 10.716 8.968 ( 1.955 6.405 0.759) 6.740 9.182 ( -0.580 0.067 1.098) 1.244 9.500 ( -3.974 3.260 2.990) 5.946 9.709 ( 1.237 0.465 0.578) 1.442 9.793 ( 5.122 0.227 -3.876) 6.427 10.514 ( 0.766 2.138 1.283) 2.609 10.776 ( -0.928 -1.332 2.064) 2.625 11.782 ( -3.040 -2.610 -1.957) 4.459 12.058 ( -11.508 -5.993 0.154) 12.976 12.585 ( 4.107 0.742 1.252) 4.358 12.722 ( 1.210 7.327 3.198) 8.085 13.223 ( -6.057 -1.306 14.507) 15.775 13.784 ( 0.542 -0.234 1.101) 1.250 13.934 ( 2.707 0.748 -0.980) 2.975 14.057 ( -5.770 -1.311 -3.164) 6.710 14.398 ( -1.256 -2.762 -5.351) 6.151 14.571 ( 0.979 6.020 -1.859) 6.376 14.603 ( 1.400 -3.128 4.141) 5.375 14.926 ( 1.126 3.496 -9.122) 9.833 15.228 ( 1.470 1.505 3.760) 4.309 15.591 ( -3.894 -4.945 5.057) 8.074 15.993 ( 1.554 1.701 -2.389) 3.319 16.350 ( 0.808 0.067 9.986) 10.019 17.175 ( -3.923 1.701 -9.912) 10.795 17.271 ( 4.912 -15.828 -11.469) 20.154 17.923 ( -7.071 -5.391 2.195) 9.159 18.393 ( 0.405 -1.767 -2.219) 2.866 18.890 ( -2.230 2.583 -3.619) 4.974 19.351 ( 2.552 4.623 4.035) 6.646 19.612 ( 5.100 -0.359 -0.117) 5.114 20.103 ( -5.784 -5.796 1.636) 8.350 20.469 ( 2.080 5.400 8.830) 10.557 21.025 ( 8.478 4.967 -9.465) 13.643 21.357 ( 4.988 1.946 7.657) 9.343 22.759 ( -3.326 1.738 -3.009) 4.810 23.251 ( -2.865 -3.115 2.446) 4.888 23.622 ( 0.438 -1.791 -4.088) 4.485 23.946 ( -2.785 -0.739 4.297) 5.173 24.360 ( 2.885 1.551 -4.681) 5.713 ======================= Grid point 177 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -3.299 16.639 -3.718) 17.366 1.438 ( 0.106 16.691 5.989) 17.733 1.725 ( -1.255 -0.591 -7.105) 7.240 2.004 ( 12.658 -7.868 6.177) 16.134 2.134 ( -1.870 1.555 2.259) 3.319 2.429 ( -0.438 5.013 -0.919) 5.115 2.571 ( 8.127 3.898 -1.802) 9.192 2.806 ( -3.339 9.806 4.831) 11.430 2.936 ( 1.716 3.802 -1.719) 4.511 3.078 ( -3.220 10.452 1.613) 11.055 3.110 ( -0.751 -1.136 -2.185) 2.575 3.254 ( 0.437 -0.344 -1.922) 2.001 3.567 ( -1.597 5.492 -2.504) 6.244 3.705 ( 6.389 0.369 2.301) 6.801 3.844 ( 2.632 2.056 4.926) 5.951 3.989 ( -3.809 3.349 8.203) 9.644 4.248 ( -0.691 10.093 6.610) 12.085 4.470 ( 0.792 -0.806 -9.283) 9.351 4.668 ( -6.934 1.834 -7.961) 10.715 4.730 ( -11.301 7.500 -2.080) 13.722 5.023 ( -7.481 -0.558 0.738) 7.538 5.135 ( -11.301 5.339 -2.822) 12.813 5.566 ( 9.653 3.309 -7.392) 12.601 5.791 ( -6.726 -1.920 -6.029) 9.234 6.050 ( 10.922 -0.967 3.905) 11.640 6.135 ( 2.435 -1.564 2.452) 3.793 6.339 ( 3.910 -2.360 3.907) 6.011 6.465 ( 7.126 -10.528 -0.573) 12.726 6.521 ( 8.399 -6.660 -1.295) 10.797 6.801 ( 2.822 -1.593 1.971) 3.793 7.188 ( -2.977 1.729 -4.863) 5.958 7.269 ( -2.731 -4.692 -0.475) 5.450 7.440 ( -5.962 -2.508 8.356) 10.567 7.601 ( -0.999 0.096 7.613) 7.679 7.836 ( 2.626 -3.308 -13.631) 14.270 8.020 ( 2.473 0.116 -2.984) 3.877 8.388 ( 4.366 -1.222 2.038) 4.970 8.533 ( 0.480 3.871 -0.084) 3.902 8.778 ( -1.047 -6.159 5.772) 8.505 8.921 ( 3.779 6.509 1.867) 7.755 9.142 ( -1.788 3.715 0.212) 4.129 9.377 ( -8.633 5.513 2.105) 10.457 9.736 ( 0.587 -0.323 2.171) 2.273 9.812 ( 5.025 1.533 -4.798) 7.115 10.495 ( 0.628 3.429 2.482) 4.279 10.797 ( -0.541 -2.296 -0.690) 2.458 11.788 ( -2.661 -6.282 -3.792) 7.806 11.984 ( -15.701 -7.912 1.002) 17.610 12.590 ( 3.134 5.965 0.719) 6.777 12.662 ( 0.447 4.768 1.980) 5.182 13.289 ( -3.876 -2.961 15.109) 15.877 13.778 ( 1.151 1.755 0.296) 2.120 13.974 ( -6.171 -1.245 -2.919) 6.939 14.012 ( 3.982 -4.215 1.171) 5.916 14.373 ( -2.485 -1.423 -6.699) 7.286 14.486 ( -1.308 2.823 -3.583) 4.745 14.631 ( -0.076 1.867 -0.540) 1.945 14.844 ( 0.930 3.949 -3.427) 5.311 15.324 ( 5.494 -2.750 8.548) 10.527 15.633 ( -3.696 -3.900 4.645) 7.102 15.962 ( 1.221 3.365 -1.547) 3.900 16.474 ( 6.088 -4.019 7.461) 10.435 16.952 ( -8.325 9.850 -10.050) 16.350 17.389 ( 3.547 -6.959 -13.358) 15.474 18.126 ( 2.735 -18.512 13.826) 23.267 18.450 ( 2.544 -6.032 -3.775) 7.557 18.835 ( -0.477 -0.479 -2.173) 2.275 19.335 ( -1.306 3.039 4.834) 5.858 19.639 ( 3.886 2.824 -4.630) 6.672 20.096 ( -6.301 -5.478 -4.022) 9.268 20.489 ( 0.186 2.964 11.261) 11.646 20.982 ( 6.562 6.368 -11.103) 14.383 21.459 ( 10.074 4.078 8.345) 13.702 22.608 ( -8.774 6.939 -3.560) 11.740 23.230 ( -3.299 1.826 2.506) 4.528 23.606 ( -0.333 -0.837 -6.965) 7.023 24.000 ( -0.523 -4.983 5.664) 7.562 24.334 ( 2.341 2.647 -5.166) 6.259 ======================= Grid point 178 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -5.821 19.168 0.273) 20.035 1.299 ( 4.474 17.137 12.780) 21.841 1.676 ( -1.722 -3.227 -11.515) 12.082 2.041 ( -7.512 3.540 -0.461) 8.317 2.237 ( -0.045 9.096 2.590) 9.457 2.299 ( 2.230 2.725 1.991) 4.045 2.521 ( -0.085 9.737 2.192) 9.981 2.727 ( 1.717 3.035 1.478) 3.787 2.868 ( -5.442 9.416 1.588) 10.992 2.905 ( -0.147 1.880 3.626) 4.087 3.109 ( 2.898 2.313 -3.462) 5.073 3.220 ( -4.706 -1.118 -4.390) 6.532 3.521 ( 4.246 2.072 0.331) 4.736 3.812 ( 2.234 -0.130 7.411) 7.741 3.853 ( -2.949 1.494 2.103) 3.918 3.977 ( 5.213 3.891 5.936) 8.806 4.133 ( -4.983 7.136 3.519) 9.388 4.385 ( -2.031 2.760 -6.825) 7.637 4.450 ( -10.105 9.667 -3.612) 14.443 4.541 ( -1.954 1.840 -7.660) 8.116 4.954 ( -6.316 1.632 1.445) 6.681 4.990 ( 2.182 1.400 -4.267) 4.993 5.559 ( 7.651 6.117 -7.130) 12.116 5.698 ( -7.218 -2.443 -8.098) 11.119 6.184 ( 0.952 -2.321 3.162) 4.037 6.206 ( 7.760 -1.931 0.111) 7.997 6.456 ( 2.437 -4.068 4.980) 6.877 6.658 ( 7.156 -4.699 -5.195) 10.014 6.729 ( 6.447 -7.919 3.234) 10.711 6.893 ( 0.191 -8.195 3.334) 8.849 7.105 ( -3.892 -1.356 -2.370) 4.754 7.306 ( -3.425 -6.037 0.389) 6.952 7.447 ( -4.676 -0.849 7.211) 8.636 7.633 ( -2.491 -0.944 6.328) 6.866 7.857 ( 6.315 -5.559 -14.218) 16.521 8.004 ( -0.057 1.306 -5.325) 5.483 8.464 ( 2.632 -0.018 2.560) 3.672 8.477 ( -0.283 4.873 1.450) 5.092 8.844 ( 4.681 1.847 0.431) 5.051 8.946 ( 1.878 -0.330 5.987) 6.283 9.061 ( -0.675 5.501 -1.025) 5.636 9.182 ( -11.079 5.513 1.523) 12.469 9.729 ( -3.723 0.621 2.617) 4.593 9.839 ( 5.238 0.513 -4.166) 6.712 10.480 ( 1.440 3.476 4.379) 5.773 10.803 ( -1.025 -1.926 -4.045) 4.596 11.826 ( -8.624 -10.179 -1.275) 13.402 11.898 ( -10.149 -6.516 -1.108) 12.111 12.538 ( 1.622 6.723 1.986) 7.195 12.636 ( 1.269 2.760 0.624) 3.101 13.358 ( -3.217 -1.811 11.134) 11.730 13.769 ( 1.256 2.697 -1.823) 3.489 13.920 ( -3.088 -1.963 -0.800) 3.745 14.133 ( 0.631 -6.145 4.020) 7.370 14.290 ( -3.155 -0.506 -9.195) 9.735 14.445 ( 0.728 -1.505 -4.979) 5.252 14.594 ( 1.207 3.465 1.076) 3.823 14.788 ( 0.755 4.195 -2.016) 4.715 15.510 ( 6.501 -3.438 11.742) 13.855 15.651 ( -4.752 -1.872 5.822) 7.745 15.924 ( 2.116 3.557 -2.503) 4.837 16.564 ( -9.356 6.311 -12.606) 16.920 16.753 ( 9.324 -0.178 11.242) 14.606 17.427 ( 2.967 -4.961 -11.525) 12.894 18.474 ( -5.478 -14.306 5.705) 16.347 18.578 ( 4.171 -12.406 3.933) 13.667 18.902 ( 8.769 -5.181 1.541) 10.301 19.308 ( -4.475 -0.293 6.147) 7.609 19.587 ( 2.148 5.672 -5.097) 7.922 20.043 ( -6.494 -5.500 -9.358) 12.649 20.525 ( -4.145 -1.679 10.406) 11.326 20.892 ( 5.910 7.472 -11.743) 15.121 21.599 ( 14.244 6.993 8.903) 18.195 22.307 ( -11.073 14.722 -6.095) 19.404 23.178 ( -2.634 3.162 4.098) 5.808 23.545 ( -0.463 1.528 -10.105) 10.230 24.101 ( -0.279 -4.938 4.825) 6.909 24.289 ( 1.678 3.198 -4.430) 5.716 ======================= Grid point 179 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 3.230 3.562 18.110) 18.738 1.261 ( 6.418 13.653 18.979) 24.245 1.614 ( -4.391 -3.988 -14.621) 15.779 1.850 ( -9.889 5.000 -3.280) 11.557 1.973 ( -8.447 16.771 9.827) 21.194 2.272 ( 2.390 9.777 -0.493) 10.077 2.440 ( 1.774 8.898 1.113) 9.141 2.607 ( -2.853 3.234 -4.938) 6.556 2.885 ( 4.278 0.515 2.199) 4.838 2.949 ( 0.701 -5.734 6.491) 8.689 3.043 ( -1.573 4.033 -4.742) 6.420 3.191 ( 2.359 -1.539 -3.899) 4.810 3.572 ( 6.119 2.310 1.608) 6.735 3.673 ( -10.086 6.151 1.243) 11.879 3.918 ( 3.413 3.870 4.979) 7.170 3.985 ( -3.414 7.116 0.979) 7.953 4.074 ( 2.143 -4.314 6.269) 7.906 4.212 ( -6.414 4.494 -1.768) 8.029 4.325 ( 2.699 3.245 -4.260) 5.997 4.489 ( 2.351 0.410 -6.510) 6.933 4.881 ( -1.480 2.102 0.396) 2.601 5.019 ( 7.545 2.046 -4.335) 8.939 5.510 ( -4.761 1.370 -5.991) 7.774 5.586 ( 4.307 4.568 -8.868) 10.866 6.222 ( -3.705 -4.256 1.903) 5.955 6.330 ( 5.079 -3.037 -0.491) 5.938 6.527 ( 0.054 -0.273 2.992) 3.004 6.688 ( 2.268 1.805 -6.093) 6.748 6.905 ( 1.711 -9.662 2.531) 10.133 7.024 ( -0.985 -7.118 -3.073) 7.815 7.161 ( -0.735 -9.214 9.269) 13.090 7.346 ( -3.271 -6.356 0.462) 7.163 7.438 ( -3.252 0.652 6.535) 7.329 7.619 ( -5.131 -1.134 0.796) 5.315 7.921 ( -5.622 0.955 -4.299) 7.142 7.979 ( 11.649 -6.264 -9.444) 16.252 8.415 ( -0.260 5.323 1.876) 5.650 8.462 ( 0.451 5.172 0.194) 5.196 8.857 ( -1.736 4.160 2.201) 5.017 8.938 ( -6.620 2.774 -1.394) 7.311 8.973 ( -1.267 2.739 4.765) 5.640 9.094 ( 5.987 0.295 -1.162) 6.106 9.675 ( -6.826 0.488 5.182) 8.584 9.863 ( 2.784 0.019 -3.639) 4.582 10.501 ( 2.240 1.945 6.647) 7.279 10.763 ( -2.988 -0.472 -6.438) 7.113 11.755 ( -18.089 -7.301 6.278) 20.492 11.981 ( 8.564 -6.752 -5.404) 12.171 12.490 ( 0.097 4.708 3.539) 5.890 12.611 ( -0.557 2.251 -0.445) 2.361 13.402 ( -2.548 -2.396 6.416) 7.307 13.688 ( 0.015 5.832 -6.793) 8.953 13.950 ( 1.667 -3.181 2.394) 4.316 14.184 ( -3.765 -2.669 -4.862) 6.704 14.240 ( -3.492 -2.781 2.812) 5.276 14.484 ( 4.531 -2.441 -6.385) 8.201 14.600 ( 0.808 -0.843 3.603) 3.787 14.744 ( 5.275 3.854 -3.815) 7.565 15.636 ( -5.052 0.452 6.593) 8.319 15.699 ( 5.283 -2.238 12.474) 13.730 15.877 ( -0.014 4.844 -2.907) 5.649 16.212 ( -10.276 10.830 -10.336) 18.158 17.020 ( 8.523 -5.705 9.697) 14.114 17.459 ( 2.490 -5.631 -11.003) 12.608 18.528 ( -8.354 -5.812 4.291) 11.045 18.658 ( -7.641 -2.751 -1.041) 8.187 19.194 ( 9.503 -2.596 4.410) 10.794 19.363 ( -3.561 -11.641 3.666) 12.714 19.529 ( 3.759 0.561 4.237) 5.692 19.989 ( -3.740 -6.454 -10.658) 13.009 20.549 ( -10.103 -7.188 6.645) 14.067 20.848 ( 10.305 2.191 -8.501) 13.537 21.621 ( -9.662 12.301 9.195) 18.144 21.986 ( 15.484 20.188 -10.489) 27.519 23.129 ( -3.034 3.637 6.036) 7.672 23.441 ( 1.418 4.536 -10.430) 11.462 24.158 ( -1.252 -1.117 3.123) 3.546 24.255 ( 1.713 1.354 -2.232) 3.123 ======================= Grid point 182 (88/140) ======================= q-point: ( 0.22 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 22.155 -0.000 -2.068) 22.252 1.421 ( 4.080 -0.000 21.056) 21.448 1.751 ( 5.204 -0.000 9.329) 10.682 1.762 ( 12.440 -0.000 -12.551) 17.672 2.077 ( -5.119 0.000 4.477) 6.801 2.185 ( 0.954 -0.000 -8.290) 8.345 2.827 ( 3.585 -0.000 -0.464) 3.615 2.849 ( -1.028 0.000 -4.559) 4.673 2.872 ( 9.008 -0.000 0.831) 9.046 3.055 ( 9.162 -0.000 3.288) 9.735 3.221 ( 5.004 -0.000 3.546) 6.133 3.423 ( 4.238 -0.000 -0.219) 4.244 3.514 ( -3.788 0.000 -2.191) 4.376 3.819 ( 6.398 -0.000 -2.435) 6.846 3.974 ( 17.075 -0.000 -7.440) 18.625 4.058 ( -3.499 0.000 8.689) 9.367 4.196 ( 8.522 -0.000 -3.519) 9.220 4.435 ( 7.776 -0.000 6.022) 9.835 4.471 ( -0.381 0.000 5.782) 5.795 4.818 ( 19.275 -0.000 -6.860) 20.460 4.948 ( -4.797 0.000 0.629) 4.838 5.043 ( 8.978 -0.000 -7.964) 12.002 5.232 ( 10.468 -0.000 1.623) 10.593 5.735 ( -8.153 0.000 0.646) 8.179 6.019 ( 2.292 -0.000 2.817) 3.632 6.130 ( -12.783 0.000 6.121) 14.173 6.350 ( -5.136 0.000 -8.174) 9.653 6.420 ( -9.238 0.000 0.628) 9.260 6.867 ( -4.929 0.000 -2.946) 5.743 6.877 ( -3.872 0.000 2.827) 4.794 7.344 ( -0.172 0.000 -6.927) 6.929 7.378 ( -2.985 0.000 0.575) 3.039 7.398 ( -1.753 0.000 1.923) 2.602 7.662 ( 4.170 -0.000 -5.536) 6.930 7.712 ( -0.862 0.000 7.329) 7.379 8.253 ( 4.684 -0.000 6.021) 7.628 8.295 ( -11.054 0.000 3.590) 11.622 8.303 ( -3.121 0.000 2.727) 4.145 8.745 ( -1.276 0.000 -3.719) 3.931 8.810 ( 12.261 -0.000 -0.241) 12.263 9.104 ( 0.088 -0.000 5.717) 5.718 9.548 ( 5.389 -0.000 -1.450) 5.581 9.652 ( 5.016 -0.000 -0.162) 5.019 9.715 ( -1.773 0.000 -2.436) 3.013 10.466 ( 1.681 -0.000 -2.373) 2.908 10.756 ( 0.344 -0.000 5.798) 5.808 11.907 ( 0.723 -0.000 4.165) 4.227 12.175 ( -11.806 0.000 -2.626) 12.094 12.328 ( -1.988 0.000 6.401) 6.703 12.864 ( 12.178 -0.000 5.755) 13.469 13.195 ( -5.090 0.000 5.438) 7.448 13.847 ( -5.075 0.000 -0.031) 5.075 13.879 ( 6.926 -0.000 -0.943) 6.990 14.250 ( -7.603 0.000 -0.409) 7.614 14.310 ( 1.761 -0.000 3.779) 4.169 14.471 ( 3.470 -0.000 3.100) 4.653 14.746 ( 3.399 -0.000 -7.567) 8.295 14.882 ( 4.717 -0.000 -10.079) 11.128 15.517 ( -0.764 0.000 3.366) 3.451 15.531 ( -5.796 0.000 9.665) 11.270 15.982 ( 2.308 -0.000 -4.522) 5.077 16.043 ( -0.944 0.000 4.970) 5.059 16.822 ( -12.113 0.000 8.181) 14.617 17.252 ( -3.889 0.000 -21.962) 22.304 18.459 ( -25.253 0.000 -8.551) 26.662 18.461 ( -1.159 0.000 9.717) 9.786 19.095 ( 0.681 -0.000 -7.162) 7.194 19.311 ( 7.123 -0.000 16.872) 18.313 19.764 ( -4.688 0.000 4.946) 6.815 19.820 ( -6.257 0.000 -5.660) 8.437 20.666 ( 1.511 -0.000 -4.812) 5.044 20.755 ( 14.987 -0.000 8.098) 17.035 21.511 ( 4.123 -0.000 -6.259) 7.495 22.293 ( 11.035 -0.000 -0.328) 11.040 23.264 ( 0.411 -0.000 -3.041) 3.069 23.454 ( 1.961 -0.000 2.061) 2.845 24.123 ( -4.092 0.000 2.125) 4.612 24.317 ( 3.578 -0.000 -2.845) 4.571 ======================= Grid point 183 (89/140) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 13.227 5.197 1.764) 14.320 1.670 ( 7.477 -1.971 13.528) 15.581 1.721 ( 14.881 6.756 -3.803) 16.779 1.922 ( 8.091 -2.179 -2.770) 8.825 2.109 ( -0.343 -2.819 2.477) 3.768 2.156 ( 1.034 -1.474 -1.869) 2.595 2.758 ( 2.271 5.813 -3.146) 6.989 2.909 ( 6.007 1.395 1.789) 6.421 2.948 ( 4.039 -1.811 -6.617) 7.961 3.147 ( 6.415 3.478 2.048) 7.579 3.268 ( -1.763 -1.164 1.562) 2.627 3.429 ( 4.220 4.952 0.365) 6.516 3.551 ( 4.541 -2.733 0.882) 5.373 3.856 ( 7.013 5.559 -3.394) 9.571 4.039 ( -1.750 4.226 7.054) 8.408 4.093 ( 10.654 0.057 -7.887) 13.256 4.365 ( 5.337 -13.659 -5.432) 15.639 4.425 ( -1.347 7.303 5.649) 9.331 4.586 ( 7.151 -1.870 0.696) 7.424 4.893 ( 0.050 -3.647 -8.338) 9.101 5.055 ( 10.002 -1.220 1.441) 10.178 5.159 ( 10.973 -4.263 -0.929) 11.808 5.437 ( 13.180 -3.282 7.206) 15.376 5.637 ( -6.004 0.872 -0.606) 6.097 6.011 ( -9.763 0.171 5.423) 11.169 6.051 ( -0.213 -0.188 1.240) 1.272 6.238 ( -3.462 2.052 -2.775) 4.888 6.304 ( -7.038 1.436 -1.128) 7.271 6.682 ( -6.010 9.667 -2.912) 11.750 6.913 ( -3.647 -5.805 0.722) 6.893 7.222 ( 1.297 9.463 -1.346) 9.646 7.324 ( -1.927 0.416 -3.958) 4.422 7.474 ( -3.121 -7.329 -1.286) 8.069 7.661 ( 1.824 2.904 1.562) 3.768 7.762 ( 2.373 -2.281 2.296) 4.013 8.106 ( -7.558 7.064 -0.112) 10.346 8.308 ( -5.561 -5.406 0.581) 7.778 8.407 ( 5.129 -1.271 12.023) 13.133 8.660 ( -2.815 2.498 -4.263) 5.687 8.988 ( 9.915 -2.523 0.673) 10.253 9.133 ( 0.167 0.533 4.592) 4.626 9.579 ( 0.778 1.036 1.603) 2.061 9.689 ( 2.690 0.106 -2.612) 3.751 9.733 ( 5.805 -0.401 -2.386) 6.289 10.501 ( 4.298 -0.535 -0.964) 4.437 10.778 ( -0.832 0.648 3.941) 4.080 11.871 ( -5.811 2.342 1.672) 6.484 12.028 ( -12.276 -3.051 -1.821) 12.779 12.407 ( 4.873 -2.044 7.527) 9.197 12.977 ( 7.515 7.042 5.322) 11.593 13.199 ( -4.852 -3.026 7.971) 9.810 13.763 ( -1.999 3.423 2.305) 4.586 13.977 ( 0.614 -5.204 -1.622) 5.485 14.133 ( -7.288 2.672 0.680) 7.793 14.366 ( 3.089 -1.111 3.063) 4.490 14.484 ( 1.406 2.592 -3.426) 4.520 14.752 ( 4.781 1.479 -4.511) 6.737 14.897 ( 3.294 -3.017 -7.903) 9.078 15.469 ( 0.053 6.939 0.410) 6.951 15.504 ( -7.304 1.623 9.901) 12.410 15.985 ( 2.226 -0.457 -4.480) 5.023 16.155 ( -2.792 -13.112 7.131) 15.185 16.729 ( -7.486 -1.201 2.532) 7.994 17.104 ( -3.529 -5.459 -20.327) 21.341 18.116 ( -19.647 0.250 -9.376) 21.771 18.455 ( -5.815 0.611 4.489) 7.372 19.086 ( 4.586 2.268 -5.161) 7.267 19.466 ( 1.271 -1.099 11.240) 11.365 19.608 ( 0.923 10.319 0.211) 10.362 19.873 ( -3.648 -8.322 3.609) 9.777 20.635 ( 4.223 5.070 -1.194) 6.706 20.999 ( 11.729 -2.026 4.188) 12.618 21.462 ( 3.622 7.149 -2.547) 8.409 22.512 ( 9.945 -9.829 0.161) 13.984 23.203 ( -3.214 2.241 -2.834) 4.836 23.508 ( 0.304 -3.274 1.282) 3.529 24.066 ( -4.961 1.712 1.995) 5.615 24.347 ( 3.489 -0.677 -3.823) 5.220 ======================= Grid point 184 (90/140) ======================= q-point: ( 0.44 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 5.272 4.816 -1.020) 7.213 1.778 ( 10.745 5.655 10.279) 15.909 1.927 ( 11.716 4.852 -2.072) 12.849 1.973 ( 5.209 4.002 -2.419) 7.000 2.081 ( 1.037 -1.113 -1.266) 1.979 2.305 ( 7.571 -5.297 5.557) 10.782 2.696 ( 2.045 4.757 -3.896) 6.480 2.955 ( 2.924 -0.145 -7.060) 7.643 2.984 ( 8.891 3.166 1.764) 9.601 3.148 ( 0.040 2.406 -0.441) 2.447 3.282 ( 2.409 0.611 0.466) 2.528 3.416 ( 3.193 5.618 0.622) 6.491 3.629 ( 4.057 0.472 1.698) 4.424 3.805 ( 4.058 7.655 -4.269) 9.659 3.990 ( -2.773 3.646 3.874) 5.999 4.199 ( 7.838 -2.826 -4.991) 9.712 4.297 ( -2.897 7.872 3.391) 9.047 4.557 ( 4.161 -5.363 -2.257) 7.153 4.679 ( 1.265 -4.830 -2.778) 5.714 4.894 ( -0.333 -3.800 -6.645) 7.662 5.101 ( -1.500 3.928 -2.636) 4.962 5.312 ( 1.215 -1.618 4.071) 4.546 5.585 ( 3.965 2.036 2.255) 4.996 5.682 ( 6.207 -5.683 5.856) 10.253 5.975 ( -2.833 -1.365 -1.896) 3.672 6.064 ( 4.201 -1.090 2.721) 5.123 6.168 ( -2.736 1.827 1.192) 3.500 6.259 ( 3.181 -0.079 1.449) 3.496 6.464 ( -5.100 7.476 -4.784) 10.237 6.923 ( -3.705 -0.889 1.614) 4.138 7.135 ( 3.759 6.008 -3.964) 8.120 7.273 ( -3.411 -0.407 0.013) 3.435 7.479 ( -5.613 -3.510 -2.596) 7.111 7.647 ( -1.203 3.994 7.689) 8.747 7.841 ( 4.655 -0.262 -5.186) 6.973 7.956 ( -3.647 0.652 -0.204) 3.711 8.311 ( -3.244 -3.418 0.599) 4.750 8.553 ( 4.455 -0.207 10.985) 11.856 8.579 ( -4.238 -1.096 -2.154) 4.879 9.102 ( 5.220 2.836 3.519) 6.905 9.161 ( 2.664 -0.297 1.360) 3.006 9.564 ( -1.533 2.170 1.543) 3.072 9.719 ( 2.466 -0.834 -0.321) 2.623 9.792 ( 6.530 0.351 -4.075) 7.705 10.553 ( 4.341 1.035 -0.438) 4.484 10.771 ( -1.585 0.650 2.486) 3.019 11.761 ( -7.742 0.870 -0.374) 7.800 11.923 ( -11.444 -4.476 -0.919) 12.322 12.565 ( 7.509 -1.935 7.667) 10.905 12.950 ( 1.006 8.922 5.038) 10.296 13.212 ( -5.012 -0.279 8.536) 9.903 13.759 ( 2.107 0.255 3.489) 4.084 13.976 ( -6.076 -1.588 -2.531) 6.771 14.041 ( -4.024 0.870 1.964) 4.561 14.394 ( 3.210 3.571 -8.066) 9.387 14.489 ( 1.976 -4.128 3.693) 5.880 14.741 ( 2.525 5.086 -2.444) 6.182 14.932 ( 2.598 -2.572 -6.764) 7.689 15.356 ( -0.152 7.522 -0.986) 7.587 15.481 ( -5.634 -1.796 9.108) 10.860 15.997 ( 2.401 -0.852 -3.866) 4.630 16.303 ( -5.793 -7.533 9.189) 13.219 16.774 ( 0.585 -14.716 -5.135) 15.597 17.052 ( -2.950 -8.250 -15.333) 17.660 17.867 ( -11.890 -0.257 -5.050) 12.921 18.379 ( -6.558 -0.093 -0.232) 6.563 19.041 ( 3.429 6.835 -6.446) 10.001 19.468 ( -2.133 3.537 5.393) 6.793 19.616 ( 5.675 1.056 3.151) 6.576 19.945 ( -3.742 -5.662 3.403) 7.592 20.623 ( 4.200 5.340 2.107) 7.113 21.125 ( 8.162 2.075 -4.293) 9.453 21.450 ( 6.483 5.094 6.840) 10.712 22.726 ( 6.115 -5.109 -1.294) 8.072 23.131 ( -5.077 -2.493 -0.261) 5.662 23.551 ( -0.700 -3.304 -0.688) 3.446 23.988 ( -4.713 2.527 2.778) 6.026 24.369 ( 2.875 -0.525 -5.209) 5.973 ======================= Grid point 185 (91/140) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 6.593 0.331 0.385) 6.613 1.834 ( 4.340 12.693 0.991) 13.452 1.848 ( 0.564 7.607 3.455) 8.373 1.929 ( 3.182 6.051 0.796) 6.883 2.175 ( 7.147 0.505 -0.433) 7.178 2.467 ( 4.804 -1.472 0.549) 5.055 2.665 ( 5.197 2.028 -1.616) 5.808 2.952 ( 2.790 1.555 -4.820) 5.782 3.057 ( 8.077 3.957 0.481) 9.007 3.111 ( -0.467 0.998 -0.666) 1.287 3.270 ( 1.838 6.297 -1.523) 6.734 3.356 ( -1.409 5.421 0.768) 5.653 3.657 ( 2.119 2.439 -1.167) 3.435 3.761 ( 6.295 4.621 -1.103) 7.887 3.915 ( -4.871 2.461 0.833) 5.521 4.167 ( -1.535 8.628 9.106) 12.639 4.326 ( 7.049 -4.398 -8.580) 11.944 4.599 ( 5.866 6.933 -0.209) 9.084 4.665 ( -8.172 -2.207 -2.461) 8.816 4.872 ( -11.791 2.085 -3.379) 12.442 4.927 ( -2.354 -0.052 -4.449) 5.033 5.289 ( -6.442 4.807 1.178) 8.124 5.607 ( 3.693 1.778 0.803) 4.176 5.791 ( -4.417 0.139 0.664) 4.469 6.005 ( 8.061 -4.082 3.154) 9.570 6.173 ( 7.802 3.938 3.831) 9.542 6.204 ( 2.576 -7.990 -0.356) 8.403 6.310 ( -0.470 0.576 -1.431) 1.612 6.402 ( 8.563 -2.171 -0.941) 8.884 6.876 ( -1.080 3.636 2.368) 4.472 7.105 ( 1.210 -1.131 -6.457) 6.666 7.251 ( -3.900 -0.534 2.276) 4.547 7.398 ( -8.562 -0.538 0.737) 8.610 7.643 ( 0.102 2.690 8.471) 8.889 7.779 ( -1.569 0.567 -9.869) 10.009 8.015 ( 5.554 -2.245 -1.990) 6.312 8.342 ( 1.107 -3.253 0.681) 3.503 8.536 ( -6.406 -3.761 0.619) 7.454 8.681 ( 5.016 0.493 10.559) 11.700 9.108 ( 3.028 5.842 3.685) 7.542 9.199 ( 2.675 1.628 -0.107) 3.133 9.492 ( -5.492 3.606 1.173) 6.674 9.756 ( 2.072 0.625 1.474) 2.619 9.837 ( 5.841 0.299 -5.185) 7.816 10.571 ( 2.854 2.591 0.151) 3.858 10.762 ( -1.123 -0.162 1.106) 1.584 11.668 ( -7.797 -2.252 -0.696) 8.146 11.838 ( -10.438 -4.286 -1.255) 11.353 12.703 ( 7.152 2.457 5.355) 9.266 12.854 ( -1.916 8.120 4.142) 9.315 13.215 ( -4.624 -1.484 11.755) 12.719 13.817 ( 3.095 0.527 2.484) 4.003 13.903 ( -6.149 -2.144 -1.380) 6.657 13.999 ( -1.469 0.877 0.860) 1.915 14.342 ( 2.025 0.918 -8.838) 9.113 14.597 ( 1.020 -3.610 3.889) 5.403 14.638 ( -2.236 7.259 -3.439) 8.338 14.932 ( 2.645 1.271 -6.937) 7.532 15.306 ( 2.243 2.473 4.728) 5.788 15.512 ( -3.530 -4.317 5.236) 7.649 16.015 ( 1.585 0.099 -0.982) 1.867 16.366 ( -0.829 -5.029 3.678) 6.285 16.948 ( -10.127 -13.582 -3.063) 17.216 17.068 ( 6.842 -11.332 -17.426) 21.884 17.800 ( -3.593 -5.726 4.593) 8.173 18.321 ( -2.869 -3.026 -3.643) 5.537 18.946 ( 3.048 7.170 -4.761) 9.130 19.427 ( -2.660 3.572 4.738) 6.502 19.682 ( 4.454 0.613 -0.123) 4.498 19.956 ( -6.259 -4.428 -1.330) 7.781 20.620 ( 2.762 5.597 5.798) 8.519 21.122 ( 5.165 3.982 -8.239) 10.507 21.562 ( 10.589 3.841 11.759) 16.283 22.738 ( -1.747 3.810 -4.495) 6.146 23.161 ( -3.074 -6.619 3.083) 7.923 23.567 ( -1.153 -2.445 -3.213) 4.199 23.938 ( -2.853 0.539 4.892) 5.689 24.367 ( 2.224 0.041 -6.695) 7.054 ======================= Grid point 186 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.492 16.429 -4.367) 17.007 1.689 ( -0.431 5.289 -9.266) 10.678 1.745 ( 3.211 15.780 9.986) 18.948 2.019 ( 1.708 -7.269 7.517) 10.595 2.199 ( 2.733 3.526 -0.009) 4.462 2.463 ( -0.356 3.442 -2.376) 4.198 2.731 ( 5.808 1.584 0.572) 6.047 2.882 ( -1.469 7.296 -1.803) 7.658 3.054 ( 4.930 8.068 -1.079) 9.516 3.119 ( 1.868 2.039 -0.255) 2.777 3.182 ( 0.802 5.093 -0.698) 5.203 3.242 ( -4.508 5.878 -1.286) 7.519 3.604 ( -0.498 3.718 -1.895) 4.203 3.806 ( 2.776 0.474 1.701) 3.290 3.843 ( -2.840 0.594 2.044) 3.549 4.127 ( 2.409 6.890 8.571) 11.258 4.395 ( 2.923 -2.167 -11.808) 12.356 4.473 ( -1.352 15.766 6.611) 17.150 4.548 ( -5.976 1.472 -3.446) 7.054 4.701 ( -1.727 3.771 -5.520) 6.905 4.918 ( -2.545 -3.350 -2.648) 4.971 5.077 ( -9.406 7.191 -0.759) 11.864 5.640 ( -1.972 -1.387 -1.592) 2.889 5.696 ( 2.212 4.538 -4.669) 6.876 6.170 ( 4.727 -1.020 5.384) 7.237 6.213 ( 1.071 1.563 3.539) 4.015 6.348 ( 5.165 -1.675 -0.699) 5.475 6.374 ( 3.489 -11.804 0.774) 12.333 6.567 ( 10.428 -4.566 0.208) 11.385 6.855 ( 0.292 1.330 1.711) 2.186 7.092 ( -4.229 -1.912 -4.040) 6.153 7.178 ( -4.414 -0.698 -3.726) 5.819 7.366 ( -5.264 -3.575 6.987) 9.450 7.658 ( -3.707 2.598 8.974) 10.051 7.724 ( 3.723 -3.301 -11.784) 12.792 8.068 ( 5.977 1.570 -6.858) 9.232 8.428 ( 2.207 -3.724 2.696) 5.099 8.513 ( -4.889 -2.354 1.908) 5.752 8.802 ( 4.190 -0.671 9.684) 10.573 9.088 ( 2.881 5.530 2.868) 6.863 9.177 ( 1.964 5.231 -0.933) 5.664 9.344 ( -8.861 5.948 0.865) 10.707 9.760 ( -1.360 1.378 2.200) 2.931 9.869 ( 5.620 1.034 -4.898) 7.527 10.569 ( 2.212 3.052 1.671) 4.123 10.754 ( -1.578 -1.025 -1.321) 2.299 11.616 ( -9.352 -4.985 2.287) 10.842 11.770 ( -5.366 -3.940 -3.443) 7.494 12.730 ( 2.912 7.246 3.190) 8.436 12.757 ( 0.296 6.403 1.540) 6.592 13.286 ( -4.915 -3.886 15.979) 17.163 13.832 ( 0.888 2.011 2.420) 3.269 13.865 ( -1.963 -2.340 -4.312) 5.284 14.025 ( 1.593 -1.808 3.708) 4.422 14.295 ( -0.123 0.442 -9.864) 9.875 14.468 ( -2.869 4.636 -8.071) 9.740 14.656 ( -0.690 0.204 4.871) 4.924 14.894 ( 2.833 3.719 -4.725) 6.648 15.400 ( 3.079 -3.590 9.593) 10.695 15.561 ( -1.442 -4.348 2.383) 5.164 16.016 ( -0.019 2.148 3.292) 3.931 16.473 ( 2.691 -7.042 -4.068) 8.566 16.866 ( -7.457 -0.431 -3.194) 8.124 17.221 ( 4.599 -11.240 -15.126) 19.399 17.975 ( -0.638 -15.133 11.170) 18.820 18.368 ( 2.978 -8.037 -4.858) 9.852 18.900 ( 5.435 4.450 0.004) 7.025 19.354 ( -5.364 3.017 2.377) 6.597 19.699 ( 2.777 2.814 -2.344) 4.597 19.897 ( -8.215 -4.384 -5.750) 10.944 20.606 ( -0.469 5.755 8.680) 10.425 21.060 ( 2.897 4.876 -9.265) 10.863 21.739 ( 12.714 4.030 13.416) 18.918 22.570 ( -6.830 7.230 -6.610) 11.942 23.215 ( -1.613 -2.055 4.055) 4.824 23.545 ( -1.036 -0.979 -6.138) 6.302 23.972 ( -0.960 -3.421 6.689) 7.574 24.343 ( 1.813 0.699 -7.637) 7.880 ======================= Grid point 187 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.578 20.046 -0.052) 20.055 1.548 ( -4.641 2.570 -9.691) 11.048 1.670 ( 7.074 14.744 9.249) 18.788 1.993 ( -7.884 5.718 -2.297) 10.007 2.285 ( -2.656 -4.844 4.790) 7.312 2.367 ( 1.610 7.033 1.089) 7.297 2.725 ( 1.135 13.465 1.123) 13.559 2.741 ( -2.734 0.709 -0.598) 2.887 2.983 ( 2.275 9.281 1.792) 9.722 3.026 ( -0.306 9.696 2.034) 9.911 3.114 ( -5.198 0.911 -3.777) 6.490 3.186 ( 6.549 1.866 -3.491) 7.653 3.591 ( 2.726 -0.029 3.134) 4.154 3.750 ( -8.610 -0.722 -1.448) 8.761 3.899 ( 1.456 -1.139 7.762) 7.979 4.118 ( -0.442 5.816 7.707) 9.666 4.201 ( -8.225 6.724 -3.332) 11.134 4.408 ( 6.416 7.178 -5.336) 11.007 4.487 ( 1.995 7.730 -1.998) 8.229 4.553 ( 0.779 7.746 -5.603) 9.591 4.902 ( -2.286 -0.278 0.449) 2.347 5.006 ( 6.145 -2.650 -6.008) 8.994 5.540 ( -8.072 1.596 -1.258) 8.324 5.703 ( 8.807 3.414 -7.585) 12.114 6.182 ( -2.081 2.163 3.540) 4.641 6.277 ( 2.088 -3.209 1.805) 4.233 6.421 ( -0.024 -2.956 3.202) 4.358 6.576 ( 2.933 -12.208 -4.338) 13.283 6.779 ( 8.797 -5.234 4.283) 11.096 6.844 ( -1.880 -0.379 0.305) 1.942 6.996 ( -7.415 -2.214 -0.515) 7.756 7.172 ( -2.973 -5.532 -2.849) 6.896 7.403 ( -3.428 -3.210 6.723) 8.201 7.602 ( -5.531 0.851 2.716) 6.220 7.807 ( 7.824 -5.053 -6.435) 11.321 8.034 ( 3.372 4.788 -9.486) 11.148 8.469 ( -4.490 -1.809 4.225) 6.425 8.532 ( 2.744 0.144 1.681) 3.221 8.909 ( 2.426 0.032 7.478) 7.861 9.061 ( -2.405 3.051 3.215) 5.042 9.100 ( -5.458 6.995 -1.800) 9.053 9.172 ( 4.129 7.379 -0.267) 8.460 9.712 ( -5.212 2.017 3.294) 6.487 9.886 ( 3.801 1.399 -4.136) 5.789 10.568 ( 1.349 2.978 3.910) 5.097 10.728 ( -2.991 -1.713 -3.921) 5.221 11.585 ( -9.422 -4.871 6.261) 12.316 11.802 ( 4.446 -6.187 -5.241) 9.248 12.648 ( -1.231 6.895 2.413) 7.408 12.712 ( 2.057 5.769 0.300) 6.132 13.352 ( -6.719 -2.582 14.810) 16.467 13.827 ( 1.695 3.958 -0.739) 4.368 13.867 ( 1.369 -2.431 -2.188) 3.546 14.091 ( -1.298 -2.816 4.500) 5.465 14.207 ( -0.431 0.315 -10.052) 10.066 14.401 ( 2.834 -1.751 -7.675) 8.367 14.649 ( -1.690 2.470 4.621) 5.505 14.855 ( 4.115 4.291 -4.191) 7.273 15.531 ( -4.304 -6.107 8.296) 11.164 15.646 ( 5.541 -3.289 4.123) 7.650 16.004 ( -0.737 3.632 6.750) 7.701 16.414 ( -10.997 1.922 -11.756) 16.212 16.910 ( 11.550 -3.166 3.388) 12.446 17.290 ( 2.285 -7.153 -14.393) 16.234 18.225 ( -5.259 -15.477 9.479) 18.896 18.518 ( 4.930 -9.195 -4.242) 11.263 19.004 ( 10.177 -3.011 6.953) 12.688 19.259 ( -5.146 0.224 -1.075) 5.262 19.641 ( -2.433 4.004 -2.147) 5.154 19.818 ( -6.002 -3.947 -7.649) 10.493 20.559 ( -4.496 5.507 10.110) 12.359 20.966 ( 2.472 4.856 -9.480) 10.934 21.867 ( -0.853 6.541 13.898) 15.384 22.352 ( 3.328 9.522 -10.004) 14.206 23.224 ( -1.198 2.188 5.081) 5.661 23.501 ( 0.875 0.453 -8.257) 8.316 24.060 ( -0.952 -4.861 6.018) 7.795 24.306 ( 1.824 1.270 -6.920) 7.268 ======================= Grid point 188 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 1.864 9.003 11.936) 15.066 1.386 ( -7.774 0.974 -12.344) 14.621 1.609 ( -0.447 12.831 12.300) 17.780 1.799 ( -1.606 6.478 -5.701) 8.777 2.175 ( -0.857 9.490 5.087) 10.801 2.367 ( -1.101 4.573 -1.131) 4.838 2.587 ( -3.786 2.421 0.222) 4.499 2.654 ( 3.219 12.908 3.289) 13.704 2.919 ( -5.862 -1.941 0.129) 6.176 3.001 ( 5.537 3.854 3.814) 7.750 3.030 ( 1.805 4.055 -0.768) 4.504 3.242 ( 8.220 -0.113 -5.284) 9.773 3.604 ( -8.450 3.268 -0.285) 9.064 3.700 ( 5.971 -1.347 5.666) 8.341 3.920 ( -9.002 -0.917 2.606) 9.416 4.045 ( 0.173 6.421 6.152) 8.894 4.111 ( -1.118 -1.141 3.437) 3.790 4.287 ( -0.466 11.614 -3.584) 12.163 4.406 ( 9.390 5.472 -5.693) 12.269 4.538 ( 8.583 4.181 -5.560) 11.048 4.904 ( 3.028 1.127 -0.203) 3.238 5.112 ( 10.351 -1.063 -6.739) 12.397 5.393 ( -8.758 3.528 -1.675) 9.590 5.721 ( 9.228 4.055 -6.348) 11.911 6.136 ( -6.000 -0.263 1.828) 6.278 6.333 ( 0.988 -1.897 -2.001) 2.929 6.456 ( -7.999 -5.346 5.752) 11.209 6.653 ( -1.588 -2.994 -6.060) 6.943 6.855 ( -4.743 -7.853 -5.079) 10.487 6.878 ( 2.745 -2.297 1.827) 4.018 7.115 ( 1.980 -12.208 10.321) 16.108 7.188 ( -3.678 -5.464 -0.298) 6.593 7.443 ( -1.918 -1.777 6.387) 6.902 7.536 ( -4.782 0.962 1.361) 5.064 7.896 ( -1.236 2.714 -5.945) 6.651 7.988 ( 9.731 -4.256 -7.978) 13.283 8.453 ( -2.194 1.164 2.582) 3.582 8.538 ( 0.449 3.902 1.005) 4.054 8.817 ( -13.091 6.998 2.134) 14.996 8.977 ( 1.878 4.518 2.205) 5.367 9.026 ( -1.019 1.631 1.569) 2.482 9.222 ( 11.618 3.209 -0.541) 12.065 9.633 ( -7.010 1.244 5.294) 8.872 9.874 ( 1.009 1.303 -3.716) 4.065 10.578 ( -0.246 1.002 5.546) 5.641 10.677 ( -2.863 -0.320 -4.546) 5.382 11.605 ( -2.931 -3.959 6.972) 8.537 11.971 ( 10.272 -8.647 -2.989) 13.756 12.562 ( -2.030 5.013 2.359) 5.901 12.644 ( -1.050 5.575 -0.436) 5.690 13.373 ( -6.748 -1.739 10.625) 12.706 13.741 ( 1.193 6.457 -5.965) 8.871 13.949 ( 3.582 -4.599 2.823) 6.477 14.097 ( -2.013 -0.814 -2.585) 3.376 14.201 ( 0.978 -1.996 -0.367) 2.253 14.463 ( 5.775 -4.288 -6.496) 9.692 14.613 ( -2.608 2.004 3.226) 4.608 14.845 ( 7.025 3.474 -4.451) 9.013 15.564 ( -6.723 -4.373 5.470) 9.708 15.801 ( 6.190 -2.593 3.696) 7.662 15.964 ( -5.698 7.047 9.798) 13.347 16.140 ( -7.536 5.693 -8.408) 12.645 17.130 ( 10.130 -0.978 0.490) 10.189 17.313 ( 1.857 -7.626 -12.825) 15.036 18.331 ( -9.209 -6.919 7.738) 13.876 18.647 ( 4.358 -4.292 0.856) 6.176 19.180 ( -4.575 -10.599 -2.383) 11.787 19.310 ( 6.202 0.722 4.526) 7.712 19.580 ( 1.616 -5.028 2.660) 5.913 19.755 ( -4.675 -3.639 -7.773) 9.773 20.470 ( -8.291 4.897 9.493) 13.522 20.912 ( 5.270 0.868 -8.432) 9.981 21.632 ( -19.968 12.734 6.234) 24.490 22.356 ( 19.531 9.459 -6.743) 22.725 23.192 ( -1.869 3.909 4.890) 6.533 23.464 ( 4.337 2.401 -7.746) 9.196 24.129 ( -1.877 -3.310 3.538) 5.196 24.281 ( 2.334 1.122 -3.917) 4.696 ======================= Grid point 192 (95/140) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 1.016 -0.000 1.290) 1.642 1.859 ( 13.667 -0.000 4.080) 14.263 1.917 ( 6.194 -0.000 -6.326) 8.854 1.971 ( 17.096 -0.000 -1.891) 17.201 2.165 ( 6.598 -0.000 0.809) 6.647 2.190 ( 4.696 -0.000 7.467) 8.821 2.764 ( -1.478 0.000 -1.926) 2.428 2.943 ( 4.731 -0.000 -10.447) 11.469 3.036 ( 8.351 -0.000 1.238) 8.443 3.204 ( -2.740 0.000 -1.156) 2.974 3.274 ( 4.418 -0.000 4.022) 5.975 3.515 ( 2.102 -0.000 -0.303) 2.124 3.624 ( 7.800 -0.000 2.420) 8.167 3.953 ( 4.123 -0.000 -3.467) 5.387 4.055 ( -3.089 0.000 3.955) 5.018 4.213 ( -0.145 0.000 -4.065) 4.068 4.288 ( 15.945 -0.000 -10.507) 19.096 4.448 ( -7.196 0.000 5.815) 9.252 4.654 ( 7.030 -0.000 -4.623) 8.414 4.818 ( 0.012 -0.000 -7.281) 7.281 5.223 ( 8.917 -0.000 6.543) 11.060 5.260 ( 11.353 -0.000 1.486) 11.450 5.583 ( 0.366 -0.000 -4.207) 4.223 5.596 ( 4.463 -0.000 9.152) 10.182 5.948 ( -5.798 0.000 5.869) 8.250 6.012 ( -3.946 0.000 -1.908) 4.383 6.238 ( 0.949 -0.000 2.647) 2.812 6.257 ( 0.415 -0.000 1.105) 1.181 6.693 ( -5.665 0.000 -4.375) 7.157 6.768 ( -6.322 0.000 -0.912) 6.387 7.280 ( 0.149 -0.000 -6.203) 6.205 7.316 ( -1.991 0.000 0.032) 1.991 7.388 ( 0.905 -0.000 1.483) 1.737 7.722 ( 6.853 -0.000 -7.776) 10.364 7.754 ( -3.460 0.000 9.126) 9.760 8.075 ( -9.587 0.000 4.094) 10.425 8.190 ( -3.593 0.000 -1.906) 4.067 8.561 ( 6.268 -0.000 14.449) 15.750 8.564 ( -7.541 0.000 -5.586) 9.384 9.124 ( 10.908 -0.000 0.494) 10.919 9.170 ( 0.031 -0.000 6.141) 6.142 9.611 ( 1.794 -0.000 0.472) 1.855 9.690 ( 0.075 -0.000 0.236) 0.248 9.800 ( 7.802 -0.000 -5.822) 9.735 10.568 ( 6.937 -0.000 -0.570) 6.961 10.784 ( -1.882 0.000 2.071) 2.799 11.806 ( -8.222 0.000 1.215) 8.311 11.831 ( -12.426 0.000 -2.069) 12.597 12.529 ( 6.959 -0.000 10.857) 12.895 13.137 ( -7.978 0.000 8.744) 11.836 13.158 ( 6.250 -0.000 3.433) 7.131 13.793 ( -0.791 0.000 6.959) 7.004 13.915 ( -1.854 0.000 -4.876) 5.217 14.050 ( -8.451 0.000 1.679) 8.616 14.411 ( 2.661 -0.000 3.397) 4.315 14.513 ( 3.761 -0.000 -7.523) 8.410 14.801 ( 5.018 -0.000 -2.948) 5.820 14.860 ( 2.454 -0.000 -7.688) 8.070 15.481 ( -8.018 0.000 10.131) 12.920 15.554 ( 0.820 -0.000 1.240) 1.486 15.980 ( 1.618 -0.000 -3.588) 3.936 16.016 ( -4.357 0.000 1.558) 4.627 16.652 ( -9.773 0.000 8.302) 12.823 16.904 ( 1.990 -0.000 -24.723) 24.803 17.868 ( -12.415 0.000 -6.388) 13.962 18.378 ( -8.301 0.000 0.632) 8.325 19.145 ( 5.277 -0.000 -5.992) 7.985 19.512 ( -2.505 0.000 8.431) 8.796 19.655 ( -0.577 0.000 -1.144) 1.281 19.848 ( 1.258 -0.000 5.976) 6.107 20.703 ( 4.145 -0.000 -1.625) 4.452 21.146 ( 8.418 -0.000 0.582) 8.438 21.548 ( 3.888 -0.000 3.903) 5.509 22.606 ( 13.430 -0.000 1.162) 13.480 23.127 ( -6.928 0.000 -4.989) 8.538 23.493 ( -1.123 0.000 2.332) 2.588 24.027 ( -5.011 0.000 2.212) 5.477 24.356 ( 2.962 -0.000 -5.142) 5.934 ======================= Grid point 193 (96/140) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.904 4.033 -0.287) 4.143 1.935 ( 0.928 -3.327 -8.274) 8.966 2.025 ( 7.633 2.859 5.097) 9.613 2.148 ( 13.981 6.290 1.003) 15.364 2.206 ( 8.664 4.988 -1.012) 10.048 2.378 ( 8.771 -5.593 6.117) 12.068 2.721 ( -1.414 2.691 -1.025) 3.208 2.952 ( 5.563 -1.498 -9.732) 11.310 3.066 ( -3.437 -0.619 1.289) 3.723 3.214 ( 8.817 4.552 -0.910) 9.964 3.348 ( 4.266 -0.226 1.750) 4.617 3.492 ( -1.795 3.524 -0.080) 3.956 3.714 ( 5.007 1.353 1.486) 5.395 3.920 ( 3.409 6.156 -4.890) 8.570 3.987 ( -6.489 2.234 0.256) 6.867 4.214 ( 1.710 -3.075 -4.483) 5.699 4.364 ( 0.944 4.038 1.003) 4.267 4.456 ( 3.052 -5.863 -1.878) 6.872 4.698 ( 5.157 -0.557 -7.296) 8.952 4.787 ( -2.637 -2.729 -7.070) 8.024 5.238 ( 1.444 14.032 3.928) 14.643 5.362 ( 1.689 1.138 6.794) 7.092 5.634 ( -5.085 -0.033 7.760) 9.277 5.732 ( 15.779 -7.921 -0.829) 17.675 5.887 ( -5.730 -0.387 -0.499) 5.764 6.005 ( -1.884 -5.720 0.126) 6.024 6.277 ( 2.942 1.588 6.033) 6.897 6.363 ( 12.622 1.377 2.872) 13.018 6.479 ( -5.788 9.406 -4.978) 12.114 6.768 ( -7.354 -9.030 -2.726) 11.960 7.218 ( -2.701 1.758 -3.999) 5.136 7.291 ( 0.724 2.217 2.405) 3.349 7.382 ( -0.448 3.666 -1.936) 4.171 7.728 ( 0.310 2.712 5.843) 6.450 7.820 ( 1.580 -3.375 -4.999) 6.235 7.947 ( -3.758 3.245 2.851) 5.725 8.199 ( -4.031 -6.960 0.886) 8.092 8.449 ( -6.533 -1.927 -4.859) 8.367 8.717 ( 5.626 1.216 14.034) 15.168 9.199 ( -0.472 1.502 6.353) 6.546 9.236 ( 7.019 0.631 0.304) 7.054 9.596 ( -0.294 4.190 -0.023) 4.200 9.723 ( 1.234 -2.848 0.605) 3.162 9.850 ( 7.006 0.549 -6.696) 9.707 10.640 ( 6.188 2.140 -0.839) 6.601 10.765 ( -1.902 -0.044 0.939) 2.122 11.661 ( -9.452 1.254 -0.474) 9.547 11.739 ( -8.385 -3.112 -0.442) 8.954 12.700 ( 5.917 -1.390 14.351) 15.585 13.044 ( -6.689 5.096 6.315) 10.517 13.225 ( 1.143 0.871 2.371) 2.773 13.831 ( 1.203 0.863 0.057) 1.482 13.867 ( -3.169 -0.938 1.878) 3.801 13.978 ( -6.445 -1.618 4.740) 8.162 14.460 ( 4.627 5.410 -10.218) 12.453 14.488 ( 2.144 -2.758 2.945) 4.569 14.797 ( 0.091 3.708 -3.955) 5.422 14.888 ( 3.838 -3.857 -6.828) 8.731 15.425 ( -6.745 2.779 8.346) 11.085 15.499 ( 0.836 6.266 1.431) 6.482 15.989 ( 1.816 -1.183 -2.909) 3.627 16.089 ( -5.973 -15.062 1.394) 16.263 16.614 ( -6.417 -5.052 4.680) 9.413 16.856 ( 5.728 -5.238 -20.201) 21.641 17.733 ( -5.408 -0.686 -1.547) 5.667 18.277 ( -7.038 -0.663 -2.136) 7.385 19.117 ( 2.500 4.194 -7.629) 9.058 19.501 ( -3.939 1.622 5.299) 6.799 19.687 ( 4.200 -0.001 2.306) 4.792 19.873 ( -3.450 -1.714 0.900) 3.956 20.737 ( 4.315 2.594 1.394) 5.224 21.190 ( 3.183 1.214 -5.622) 6.574 21.654 ( 8.097 2.519 12.393) 15.017 22.790 ( 11.028 -0.466 -2.979) 11.433 23.009 ( -7.859 -2.509 -0.586) 8.270 23.496 ( -2.232 -2.020 0.298) 3.025 23.976 ( -4.102 1.221 3.225) 5.359 24.355 ( 1.989 -0.513 -6.652) 6.962 ======================= Grid point 194 (97/140) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 3.420 -1.899 1.383) 4.150 1.896 ( 0.451 3.773 -6.473) 7.506 2.024 ( -1.219 6.672 2.904) 7.378 2.122 ( 3.097 12.437 7.574) 14.887 2.292 ( 10.689 2.229 -6.393) 12.653 2.519 ( 3.520 2.001 -1.731) 4.403 2.687 ( -1.442 -1.779 3.678) 4.333 2.982 ( 4.906 0.149 -7.891) 9.293 3.066 ( -1.211 -3.660 2.466) 4.576 3.241 ( 7.003 6.236 -0.191) 9.379 3.374 ( -2.670 6.577 -2.327) 7.469 3.387 ( 0.956 3.198 0.155) 3.341 3.715 ( 0.706 4.379 -0.895) 4.525 3.855 ( -6.421 1.594 -2.834) 7.197 3.895 ( 4.544 4.206 1.356) 6.339 4.257 ( 0.574 -1.555 1.659) 2.345 4.346 ( 5.268 2.570 -3.759) 6.963 4.528 ( -2.881 -4.285 -0.024) 5.163 4.681 ( -2.561 1.189 -9.746) 10.146 4.712 ( -2.995 -1.361 -6.162) 6.985 5.075 ( 5.222 16.002 4.591) 17.448 5.316 ( -6.115 8.089 3.743) 10.809 5.618 ( -4.696 -0.690 7.176) 8.604 5.809 ( 1.033 3.358 -1.465) 3.807 6.060 ( 8.568 -7.605 6.529) 13.186 6.096 ( 3.057 -7.099 -2.837) 8.233 6.266 ( -1.327 1.984 -4.085) 4.731 6.369 ( 5.946 1.689 4.021) 7.374 6.516 ( 8.010 0.801 0.541) 8.068 6.774 ( -5.958 -7.613 -2.337) 9.946 7.123 ( -4.378 2.643 -2.169) 5.555 7.271 ( -2.756 6.224 -3.754) 7.774 7.305 ( 0.572 0.849 5.680) 5.771 7.719 ( -0.033 3.105 -8.103) 8.678 7.743 ( -3.076 3.302 9.471) 10.491 8.028 ( 6.542 -4.964 -2.387) 8.552 8.258 ( -4.216 -7.878 2.535) 9.288 8.409 ( -2.471 -4.412 -2.903) 5.831 8.838 ( 4.469 2.325 12.577) 13.548 9.189 ( -1.304 3.161 4.226) 5.436 9.289 ( 2.873 1.727 1.701) 3.759 9.506 ( -2.137 6.377 -0.443) 6.740 9.764 ( -0.902 -1.635 0.579) 1.955 9.886 ( 6.667 0.651 -6.620) 9.418 10.649 ( 2.597 3.274 0.039) 4.179 10.756 ( -0.628 0.335 -0.497) 0.868 11.554 ( -6.660 -0.175 1.394) 6.806 11.682 ( -5.557 -2.798 -1.975) 6.527 12.850 ( -1.886 0.225 16.091) 16.202 12.943 ( 2.071 7.064 1.324) 7.479 13.221 ( -2.439 0.545 6.044) 6.541 13.787 ( -3.118 -2.571 -5.192) 6.579 13.878 ( -1.487 0.174 3.049) 3.397 14.002 ( 0.907 0.123 8.866) 8.914 14.369 ( 4.443 5.411 -12.094) 13.974 14.581 ( 0.862 -3.011 1.321) 3.399 14.662 ( -4.222 6.204 -3.808) 8.415 14.934 ( 3.796 -1.648 -6.522) 7.724 15.376 ( -4.031 1.613 9.074) 10.059 15.484 ( 2.252 0.349 1.180) 2.567 16.016 ( -0.300 -1.801 1.319) 2.253 16.213 ( -3.405 -13.499 -3.135) 14.270 16.666 ( -6.573 -10.418 1.589) 12.420 16.929 ( 9.558 -8.393 -17.099) 21.312 17.741 ( 0.166 -3.918 4.838) 6.228 18.211 ( -3.532 -3.589 -5.071) 7.147 19.050 ( 3.775 5.362 -3.735) 7.547 19.433 ( -5.926 2.412 0.944) 6.468 19.750 ( 4.397 1.300 1.159) 4.730 19.822 ( -6.871 -1.547 -1.639) 7.231 20.755 ( 2.857 4.700 4.911) 7.373 21.149 ( 0.226 2.016 -6.925) 7.216 21.824 ( 10.251 2.513 15.053) 18.385 22.730 ( -4.151 4.681 -10.179) 11.948 23.089 ( 2.723 -5.666 6.627) 9.134 23.490 ( -2.472 -2.869 -3.167) 4.936 23.947 ( -2.158 0.747 5.365) 5.831 24.338 ( 1.236 -0.690 -8.091) 8.214 ======================= Grid point 195 (98/140) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.884 4.996 -2.315) 5.577 1.738 ( -1.453 14.055 -5.574) 15.190 1.974 ( -4.328 -2.563 9.341) 10.609 2.048 ( 5.101 11.017 5.565) 13.355 2.265 ( -1.727 6.707 -2.007) 7.211 2.480 ( 2.447 0.804 -7.728) 8.146 2.695 ( -8.027 -1.719 4.369) 9.299 2.987 ( 6.052 3.568 -5.810) 9.117 3.121 ( -1.371 -1.905 2.839) 3.683 3.208 ( -2.033 6.877 -1.050) 7.248 3.238 ( 1.515 5.411 0.023) 5.620 3.320 ( 1.985 8.167 -2.741) 8.840 3.639 ( -1.225 4.349 0.896) 4.606 3.737 ( -6.023 1.580 -2.186) 6.600 3.930 ( 2.100 2.290 5.625) 6.426 4.235 ( -5.547 3.090 0.209) 6.353 4.322 ( -2.050 3.788 -5.234) 6.779 4.520 ( 0.156 -3.334 2.327) 4.069 4.612 ( 2.210 1.687 -1.306) 3.072 4.679 ( 2.079 -1.582 -11.865) 12.150 5.021 ( 9.431 12.719 3.949) 16.319 5.099 ( -4.304 11.637 -0.400) 12.414 5.587 ( -5.708 1.547 4.650) 7.523 5.791 ( 6.055 3.580 -4.308) 8.249 6.135 ( -4.949 -4.432 1.289) 6.768 6.226 ( 0.438 -8.751 4.294) 9.758 6.309 ( 5.457 2.277 -2.635) 6.473 6.462 ( 4.013 1.850 2.279) 4.972 6.606 ( 4.498 -7.910 1.509) 9.224 6.791 ( -1.705 -3.928 -3.458) 5.504 7.003 ( -9.647 1.844 -0.050) 9.822 7.157 ( 1.304 4.269 -3.334) 5.571 7.342 ( 0.025 0.242 6.480) 6.485 7.618 ( -2.503 0.525 -6.523) 7.007 7.763 ( 1.686 1.473 6.023) 6.425 8.116 ( 6.668 0.651 -8.239) 10.619 8.324 ( -6.438 -8.344 5.645) 11.955 8.467 ( 3.029 -5.049 -1.199) 6.009 8.926 ( 3.024 1.904 10.302) 10.904 9.138 ( -2.830 3.861 2.903) 5.598 9.261 ( -4.620 4.149 1.716) 6.442 9.399 ( 2.918 7.967 -0.804) 8.522 9.749 ( -3.389 0.189 0.771) 3.480 9.912 ( 4.488 0.642 -5.315) 6.986 10.645 ( 2.039 2.483 1.654) 3.614 10.711 ( -3.903 0.912 -1.826) 4.404 11.515 ( -3.559 -0.548 4.416) 5.699 11.669 ( 0.662 -3.822 -3.832) 5.452 12.811 ( -4.804 4.568 5.860) 8.848 12.921 ( 5.585 9.320 1.125) 10.923 13.254 ( -7.585 -3.822 15.730) 17.876 13.789 ( 0.690 -3.127 -1.676) 3.614 13.882 ( 0.965 -1.265 -0.924) 1.839 14.064 ( 1.528 1.690 8.470) 8.771 14.275 ( 2.152 4.574 -12.702) 13.671 14.453 ( -0.835 5.445 -10.179) 11.574 14.670 ( -1.691 -1.300 6.627) 6.962 14.947 ( 4.631 1.493 -6.118) 7.816 15.384 ( -6.145 -3.526 8.952) 11.417 15.556 ( 5.904 -2.400 1.112) 6.470 16.035 ( -3.997 -1.281 6.885) 8.064 16.298 ( -4.642 -9.614 -8.598) 13.708 16.755 ( 2.304 -9.504 -0.574) 9.796 17.070 ( 8.468 -9.043 -15.323) 19.705 17.882 ( 1.412 -8.378 9.107) 12.454 18.242 ( 1.105 -9.393 -7.263) 11.925 19.048 ( 6.663 4.077 3.113) 8.408 19.300 ( -7.696 2.310 -4.744) 9.331 19.707 ( -7.441 1.196 -0.651) 7.565 19.796 ( 2.556 1.443 -0.380) 2.960 20.736 ( -0.458 6.778 7.982) 10.481 21.064 ( -1.359 2.515 -7.648) 8.165 21.990 ( 3.859 3.320 15.756) 16.558 22.541 ( -2.153 4.945 -11.374) 12.588 23.210 ( 1.117 -2.375 6.272) 6.799 23.479 ( 0.179 -2.429 -6.181) 6.644 23.970 ( -1.202 -1.299 7.319) 7.530 24.310 ( 1.266 -0.728 -8.863) 8.983 ======================= Grid point 196 (99/140) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.127 18.670 -0.634) 18.681 1.515 ( -4.424 8.687 -5.405) 11.147 1.920 ( -7.120 8.581 5.680) 12.513 2.031 ( 3.794 9.529 2.979) 10.681 2.196 ( -4.687 -5.210 4.695) 8.435 2.450 ( 0.360 3.434 -3.402) 4.848 2.613 ( -9.326 -3.817 -0.998) 10.126 2.919 ( 0.708 9.814 0.630) 9.859 3.016 ( -9.051 6.819 -1.233) 11.399 3.143 ( 2.227 3.102 -0.306) 3.830 3.184 ( 2.839 6.551 -0.263) 7.145 3.275 ( 5.765 3.743 -2.701) 7.385 3.629 ( -3.643 0.050 0.531) 3.682 3.642 ( -0.960 -0.274 4.408) 4.519 3.919 ( -6.868 1.458 5.529) 8.937 4.096 ( -5.157 0.215 -3.058) 5.999 4.220 ( -3.820 5.720 4.990) 8.498 4.529 ( -0.068 6.276 -8.069) 10.223 4.617 ( 6.224 5.076 -0.881) 8.079 4.684 ( 9.025 2.363 -2.690) 9.709 4.966 ( 5.540 1.814 -3.881) 7.003 5.056 ( 11.205 7.090 -0.201) 13.261 5.502 ( -4.810 4.107 2.237) 6.709 5.805 ( 7.298 2.771 -5.383) 9.483 6.152 ( -6.107 -5.508 2.214) 8.517 6.250 ( -3.049 3.897 3.848) 6.268 6.394 ( -1.622 -11.283 -3.158) 11.828 6.444 ( -0.393 0.607 -0.953) 1.196 6.731 ( -5.789 -3.268 -4.465) 8.009 6.846 ( 4.809 -7.132 3.627) 9.335 6.874 ( -7.063 0.090 2.165) 7.388 7.139 ( 3.125 1.910 -0.018) 3.663 7.377 ( -0.506 -1.523 4.105) 4.408 7.568 ( -1.770 0.037 -1.236) 2.159 7.813 ( 2.546 -1.724 0.379) 3.098 8.081 ( 3.386 4.509 -9.432) 10.989 8.385 ( -3.993 -5.717 4.432) 8.262 8.563 ( 3.125 -2.336 0.617) 3.950 8.990 ( 0.509 1.075 6.550) 6.657 9.048 ( -8.290 5.258 5.520) 11.262 9.105 ( -2.533 5.708 -3.749) 7.283 9.374 ( 7.241 6.308 0.665) 9.627 9.687 ( -5.317 2.079 2.085) 6.078 9.912 ( 1.605 1.118 -4.158) 4.595 10.613 ( -4.767 1.504 0.383) 5.013 10.668 ( 0.418 0.299 1.025) 1.147 11.531 ( 0.156 -1.101 5.006) 5.128 11.770 ( 7.930 -6.289 -2.978) 10.550 12.714 ( -3.269 6.040 2.011) 7.157 12.846 ( 2.362 9.491 -0.112) 9.781 13.291 ( -10.800 -4.314 16.573) 20.246 13.839 ( -1.407 -2.904 4.762) 5.752 13.906 ( 5.194 3.199 -7.252) 9.477 14.101 ( 0.543 -0.229 6.468) 6.494 14.168 ( 3.055 2.586 -11.039) 11.742 14.394 ( 5.097 0.335 -7.462) 9.043 14.673 ( -2.958 1.375 4.607) 5.645 14.945 ( 5.839 3.306 -5.001) 8.368 15.409 ( -7.420 -6.223 5.125) 10.957 15.701 ( 7.521 -4.255 2.568) 9.015 16.035 ( -7.017 -1.032 9.506) 11.860 16.214 ( -9.988 -1.231 -7.384) 12.482 16.986 ( 13.176 -9.871 -2.887) 16.715 17.170 ( 6.867 -5.220 -14.129) 16.553 18.072 ( -0.627 -10.018 8.762) 13.325 18.386 ( 3.709 -13.807 -7.159) 15.989 19.051 ( -8.553 1.230 -2.282) 8.938 19.252 ( 10.910 -1.671 1.320) 11.116 19.577 ( -9.948 2.934 2.647) 10.704 19.793 ( 2.495 3.122 -1.179) 4.166 20.660 ( -4.786 8.057 9.965) 13.680 20.969 ( -0.437 2.381 -7.842) 8.207 21.905 ( -16.751 8.426 8.055) 20.408 22.511 ( 13.807 2.814 -6.327) 15.446 23.254 ( -1.546 0.159 4.788) 5.035 23.489 ( 4.472 -0.385 -6.141) 7.606 24.025 ( -2.198 -3.179 6.678) 7.716 24.288 ( 2.145 -0.729 -7.682) 8.009 ======================= Grid point 197 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 1.284 12.683 5.247) 13.786 1.325 ( -2.208 7.720 -4.186) 9.055 1.713 ( -7.727 9.016 3.139) 12.282 1.977 ( 4.624 11.391 5.396) 13.426 2.190 ( -5.992 -1.980 -0.806) 6.362 2.375 ( -4.060 0.820 -0.072) 4.143 2.543 ( -5.459 0.645 -2.100) 5.884 2.783 ( -9.922 7.233 0.609) 12.293 2.883 ( 4.491 1.615 5.937) 7.617 3.135 ( 3.651 6.554 -1.029) 7.572 3.143 ( 2.468 1.929 0.060) 3.133 3.288 ( 4.709 1.341 -5.276) 7.198 3.546 ( -3.632 1.575 -0.851) 4.049 3.729 ( -4.607 -3.296 7.436) 9.348 3.850 ( -0.782 -1.457 2.698) 3.165 4.075 ( -3.649 -1.012 4.192) 5.649 4.162 ( 0.880 2.825 5.461) 6.211 4.349 ( -1.224 8.112 -7.549) 11.149 4.652 ( 14.596 8.244 -4.021) 17.239 4.746 ( 13.642 7.573 -3.252) 15.938 5.016 ( 8.161 4.764 1.327) 9.543 5.141 ( 6.507 -3.753 -5.297) 9.191 5.390 ( -2.817 6.714 0.745) 7.319 5.824 ( 5.794 2.442 -5.057) 8.069 6.082 ( -7.297 2.598 0.073) 7.746 6.244 ( -5.383 -6.638 2.327) 8.858 6.343 ( -8.648 0.520 1.375) 8.773 6.508 ( -2.955 -6.965 -5.304) 9.240 6.649 ( -7.262 -6.067 -6.485) 11.471 6.862 ( -1.029 -3.273 -0.055) 3.432 6.996 ( -1.869 -7.040 7.027) 10.121 7.207 ( 5.891 -1.800 5.564) 8.300 7.430 ( 1.167 -3.326 1.882) 3.996 7.537 ( -1.779 2.497 2.527) 3.973 7.842 ( -2.886 -1.632 -2.867) 4.383 8.034 ( 6.873 1.655 -7.105) 10.022 8.418 ( -2.953 -3.202 1.200) 4.518 8.590 ( 0.282 2.522 0.456) 2.579 8.802 ( -10.099 10.775 1.956) 14.897 9.012 ( -1.440 -1.321 -0.333) 1.982 9.077 ( 2.723 3.313 2.615) 5.022 9.410 ( 7.666 3.741 1.631) 8.684 9.605 ( -4.442 2.443 3.377) 6.091 9.870 ( -1.302 1.606 -3.898) 4.412 10.551 ( -4.372 -0.785 0.245) 4.448 10.682 ( 1.151 1.177 3.176) 3.578 11.612 ( 3.859 -2.536 4.669) 6.567 11.978 ( 10.634 -8.266 -0.585) 13.481 12.602 ( -3.413 5.337 0.613) 6.364 12.731 ( -0.919 9.085 -0.278) 9.135 13.308 ( -9.676 -3.685 13.563) 17.064 13.804 ( -0.127 6.283 -3.969) 7.433 13.912 ( -0.346 -5.230 0.731) 5.292 14.132 ( 4.508 4.127 -1.288) 6.246 14.200 ( 5.675 -2.803 -1.293) 6.460 14.448 ( 5.442 -3.228 -4.264) 7.630 14.626 ( -2.778 2.676 1.525) 4.148 14.950 ( 6.437 3.196 -4.560) 8.512 15.424 ( -7.766 -6.710 3.085) 10.717 15.856 ( 6.085 -2.003 0.115) 6.408 15.925 ( -11.329 2.523 -2.963) 11.979 16.128 ( -4.470 -0.401 11.722) 12.552 17.184 ( 4.052 -2.495 -13.813) 14.609 17.244 ( 11.662 -3.035 -4.876) 13.000 18.220 ( -1.128 -6.789 7.303) 10.035 18.608 ( 6.804 -14.247 -1.919) 15.905 18.899 ( -11.745 -6.751 -11.010) 17.457 19.389 ( -9.200 7.189 7.100) 13.665 19.513 ( 8.671 -6.647 -0.533) 10.939 19.790 ( 5.071 2.253 4.496) 7.142 20.529 ( -8.610 8.471 10.618) 16.082 20.913 ( 2.655 0.169 -8.050) 8.478 21.565 ( -18.796 10.531 3.114) 21.769 22.628 ( 14.198 4.078 -3.958) 15.293 23.235 ( -1.866 2.791 3.363) 4.752 23.519 ( 6.085 1.343 -4.403) 7.630 24.070 ( -3.255 -3.790 3.536) 6.120 24.292 ( 2.853 -0.573 -4.333) 5.219 ======================= Grid point 202 (101/140) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -2.682 0.000 0.410) 2.713 1.882 ( 4.462 -0.000 -10.889) 11.767 2.125 ( 1.754 -0.000 1.787) 2.504 2.310 ( 4.651 -0.000 -4.982) 6.815 2.400 ( 10.084 -0.000 4.129) 10.896 2.458 ( 7.588 -0.000 6.879) 10.241 2.727 ( -3.019 0.000 2.459) 3.894 2.940 ( 5.362 -0.000 -10.686) 11.956 3.007 ( -4.412 0.000 1.923) 4.813 3.375 ( 1.132 -0.000 -0.052) 1.133 3.390 ( 11.348 -0.000 -1.249) 11.417 3.460 ( -7.096 0.000 0.666) 7.127 3.784 ( 2.737 -0.000 1.209) 2.992 3.884 ( -5.720 0.000 -6.176) 8.418 3.994 ( 1.992 -0.000 0.119) 1.996 4.150 ( -0.069 0.000 -4.261) 4.262 4.407 ( -2.166 0.000 6.464) 6.818 4.500 ( 10.197 -0.000 -7.743) 12.804 4.631 ( -7.277 0.000 -4.331) 8.469 4.728 ( 2.437 -0.000 -9.941) 10.235 5.359 ( -4.564 0.000 7.253) 8.570 5.460 ( 1.755 -0.000 1.092) 2.067 5.609 ( -4.351 0.000 10.820) 11.662 5.819 ( 8.627 -0.000 0.782) 8.663 5.903 ( 1.977 -0.000 7.354) 7.615 5.970 ( 10.245 -0.000 -5.299) 11.535 6.346 ( 1.339 -0.000 5.643) 5.800 6.479 ( -5.221 0.000 -5.033) 7.252 6.497 ( -9.483 0.000 -1.930) 9.677 6.592 ( 12.120 -0.000 -1.729) 12.242 7.149 ( -6.501 0.000 -1.284) 6.627 7.269 ( -2.677 0.000 0.701) 2.767 7.495 ( 4.789 -0.000 1.126) 4.919 7.768 ( 4.149 -0.000 -10.266) 11.073 7.795 ( -2.198 0.000 9.581) 9.830 7.953 ( -4.404 0.000 7.010) 8.279 8.084 ( -2.762 0.000 -1.741) 3.265 8.343 ( -2.303 0.000 -5.596) 6.052 8.876 ( 4.386 -0.000 13.549) 14.241 9.240 ( -2.688 0.000 9.628) 9.997 9.299 ( 3.616 -0.000 -1.851) 4.063 9.633 ( -1.076 0.000 -1.975) 2.249 9.700 ( 0.096 -0.000 1.327) 1.330 9.899 ( 7.336 -0.000 -8.023) 10.871 10.727 ( 4.972 -0.000 -1.783) 5.282 10.735 ( -2.494 0.000 0.632) 2.573 11.566 ( -5.959 0.000 0.275) 5.965 11.635 ( -4.762 0.000 -0.610) 4.801 12.823 ( -5.823 0.000 24.656) 25.334 13.055 ( 2.770 -0.000 1.488) 3.145 13.253 ( 0.527 -0.000 -1.230) 1.338 13.745 ( -3.147 0.000 -8.516) 9.079 13.864 ( -7.080 0.000 5.814) 9.161 14.023 ( 5.618 -0.000 12.365) 13.581 14.478 ( 2.971 -0.000 -13.045) 13.379 14.510 ( 1.679 -0.000 2.786) 3.253 14.819 ( -0.560 0.000 -7.022) 7.044 14.823 ( 1.557 -0.000 -6.479) 6.663 15.415 ( -5.174 0.000 8.905) 10.299 15.574 ( -0.042 0.000 0.538) 0.540 15.905 ( -3.736 0.000 -0.209) 3.742 15.983 ( 1.551 -0.000 -2.415) 2.871 16.521 ( -7.583 0.000 5.553) 9.399 16.816 ( 10.956 -0.000 -18.087) 21.146 17.699 ( 0.800 -0.000 1.843) 2.009 18.166 ( -6.500 0.000 -4.681) 8.010 19.127 ( 2.509 -0.000 -5.641) 6.174 19.466 ( -6.302 0.000 0.657) 6.336 19.769 ( 5.552 -0.000 2.710) 6.178 19.803 ( -6.145 0.000 -0.097) 6.146 20.822 ( 4.330 -0.000 3.008) 5.272 21.174 ( -0.971 0.000 -5.825) 5.906 21.862 ( 8.843 -0.000 15.227) 17.609 22.791 ( -6.953 0.000 -11.772) 13.672 23.007 ( 9.773 -0.000 6.922) 11.977 23.441 ( -4.255 0.000 -0.950) 4.360 23.963 ( -2.506 0.000 4.225) 4.912 24.326 ( 1.031 -0.000 -7.884) 7.951 ======================= Grid point 203 (102/140) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -1.770 -3.246 1.183) 3.882 1.887 ( 3.249 -1.364 -8.309) 9.025 2.086 ( -3.653 5.389 1.054) 6.595 2.272 ( -1.000 4.375 -1.950) 4.893 2.441 ( 5.036 7.376 1.103) 8.999 2.575 ( 1.048 2.451 -0.630) 2.739 2.665 ( -5.798 0.806 6.340) 8.630 2.967 ( 4.312 -3.065 -8.497) 10.009 3.012 ( -1.873 -4.026 4.371) 6.231 3.336 ( -3.660 2.429 -4.672) 6.413 3.357 ( -4.211 2.379 2.220) 5.322 3.480 ( 6.561 3.885 -2.028) 7.891 3.767 ( -1.148 4.184 0.250) 4.346 3.815 ( -1.651 1.750 -0.907) 2.571 3.993 ( 2.498 2.685 1.279) 3.884 4.187 ( 1.991 -6.684 -6.907) 9.816 4.392 ( -4.768 1.572 4.694) 6.873 4.458 ( -11.995 1.089 -1.639) 12.155 4.578 ( 6.387 0.021 -5.270) 8.281 4.701 ( 2.837 0.308 -9.141) 9.576 5.316 ( -1.856 5.928 6.313) 8.857 5.390 ( -1.105 6.646 2.272) 7.110 5.647 ( 1.586 3.729 8.074) 9.034 5.855 ( 3.682 1.393 -0.902) 4.038 6.049 ( 3.733 -3.232 3.997) 6.353 6.115 ( -0.018 -0.116 1.179) 1.185 6.288 ( 7.644 -1.535 -4.999) 9.261 6.413 ( -8.966 -6.104 -2.420) 11.113 6.461 ( -0.182 -0.979 2.982) 3.144 6.730 ( 9.080 -0.625 -5.748) 10.764 7.054 ( -8.008 1.286 3.333) 8.769 7.228 ( -4.509 0.585 0.819) 4.620 7.490 ( 5.090 7.831 2.037) 9.559 7.686 ( -3.080 4.666 -7.895) 9.675 7.826 ( 0.087 2.148 7.877) 8.165 8.023 ( 4.369 -6.557 2.934) 8.408 8.104 ( -3.294 -6.816 0.497) 7.587 8.331 ( 2.228 -3.354 -6.046) 7.265 8.985 ( 2.475 1.645 11.172) 11.560 9.242 ( -2.995 3.018 8.941) 9.900 9.313 ( -0.586 0.226 -0.110) 0.637 9.555 ( -2.806 3.584 -2.343) 5.119 9.723 ( -0.882 -1.418 0.583) 1.769 9.929 ( 5.769 0.493 -8.241) 10.071 10.700 ( -0.939 1.605 1.114) 2.168 10.745 ( -0.768 0.759 -2.025) 2.295 11.531 ( 0.302 0.992 1.898) 2.163 11.600 ( -1.132 -1.412 -1.785) 2.542 12.846 ( -12.142 -1.013 21.454) 24.672 13.142 ( 10.250 5.854 3.361) 12.273 13.220 ( -3.647 0.756 1.787) 4.131 13.692 ( 1.485 -3.358 -9.520) 10.203 13.825 ( -6.756 -1.529 7.183) 9.979 14.160 ( 6.654 3.683 11.873) 14.100 14.397 ( 2.058 3.320 -13.924) 14.461 14.560 ( 0.822 -1.853 -0.591) 2.111 14.668 ( -3.134 6.111 -4.669) 8.305 14.874 ( 1.656 -6.308 -7.636) 10.042 15.396 ( -4.105 2.967 8.804) 10.157 15.556 ( 2.703 2.053 0.673) 3.461 15.927 ( -5.876 -7.057 1.508) 9.306 16.028 ( 2.315 -6.292 -3.310) 7.476 16.505 ( -4.681 -6.382 2.198) 8.214 16.888 ( 12.297 -3.704 -15.269) 19.953 17.774 ( 5.611 -1.191 5.564) 7.991 18.072 ( -4.779 -3.328 -7.734) 9.681 19.141 ( 5.271 2.128 0.138) 5.686 19.349 ( -8.599 1.056 -5.205) 10.107 19.726 ( -6.772 0.374 2.359) 7.180 19.840 ( 4.801 1.171 1.195) 5.084 20.874 ( 2.708 3.078 5.203) 6.624 21.102 ( -3.834 0.524 -5.882) 7.041 22.056 ( 7.416 1.540 15.871) 17.586 22.606 ( -8.915 0.348 -11.371) 14.454 23.176 ( 8.387 0.341 5.861) 10.238 23.388 ( -3.644 -3.259 -4.022) 6.330 23.970 ( -0.708 0.467 5.776) 5.838 24.288 ( 0.599 -0.582 -8.713) 8.753 ======================= Grid point 204 (103/140) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -3.293 -3.119 0.105) 4.537 1.884 ( 3.250 6.675 -4.572) 8.719 1.928 ( -9.594 2.749 6.394) 11.853 2.181 ( -2.067 3.517 -3.223) 5.199 2.344 ( -4.033 9.771 3.297) 11.073 2.467 ( -0.094 4.151 -7.165) 8.281 2.623 ( -8.709 1.562 6.494) 10.976 3.015 ( 3.782 -2.605 -6.556) 8.004 3.079 ( -2.996 -3.840 5.614) 7.433 3.199 ( -8.039 4.762 1.435) 9.453 3.303 ( 1.154 1.970 -5.439) 5.899 3.444 ( 2.230 7.249 -0.710) 7.618 3.700 ( -0.734 4.495 3.000) 5.454 3.728 ( -2.676 5.492 -1.141) 6.215 3.984 ( -5.957 3.036 4.927) 8.306 4.135 ( -4.051 2.183 -9.275) 10.353 4.325 ( -6.600 1.677 3.757) 7.777 4.440 ( 1.433 -11.172 2.351) 11.506 4.633 ( 2.805 0.611 -6.876) 7.451 4.678 ( 5.894 0.402 -3.573) 6.904 5.178 ( -2.504 11.149 0.724) 11.450 5.382 ( 9.853 8.175 1.855) 12.936 5.625 ( -0.190 7.050 6.132) 9.346 5.883 ( 5.452 3.271 -2.397) 6.795 6.014 ( -6.782 -3.675 -1.440) 7.847 6.142 ( -0.732 -3.983 2.253) 4.634 6.340 ( -8.471 -5.819 -4.594) 11.258 6.447 ( 4.271 4.039 -1.294) 6.019 6.562 ( 4.255 -9.365 7.959) 13.006 6.744 ( 0.742 -0.201 -11.305) 11.331 6.965 ( -3.986 4.783 6.006) 8.651 7.177 ( -2.732 -0.150 2.188) 3.503 7.471 ( 4.731 8.728 0.623) 9.947 7.557 ( -2.244 0.274 -4.234) 4.800 7.832 ( -0.247 2.248 5.082) 5.563 8.137 ( 1.904 -1.442 -5.084) 5.617 8.192 ( 0.806 -7.573 4.243) 8.718 8.413 ( 3.858 -7.552 -3.024) 9.003 9.029 ( -0.191 2.519 7.628) 8.036 9.195 ( -2.216 5.392 5.303) 7.881 9.254 ( -5.597 4.040 1.180) 7.003 9.481 ( -1.604 1.367 -0.215) 2.119 9.716 ( -1.332 0.451 -0.057) 1.407 9.932 ( 3.100 0.483 -6.713) 7.410 10.657 ( -5.588 1.843 -0.731) 5.930 10.701 ( 0.242 1.591 1.523) 2.216 11.550 ( 2.983 1.988 2.369) 4.297 11.645 ( 5.831 -3.224 -1.481) 6.826 12.832 ( -6.165 1.724 11.550) 13.205 13.091 ( -1.925 5.734 -1.008) 6.132 13.223 ( -3.249 3.125 12.550) 13.335 13.765 ( 3.757 -4.177 -0.650) 5.656 13.831 ( -0.293 -4.551 0.512) 4.589 14.212 ( 1.786 6.836 4.780) 8.531 14.289 ( 2.330 4.550 -7.555) 9.122 14.471 ( 3.243 4.841 -11.775) 13.137 14.663 ( -2.016 -2.026 6.480) 7.082 14.932 ( 2.877 -5.537 -8.473) 10.523 15.343 ( -5.699 2.860 7.782) 10.060 15.617 ( 5.476 -1.780 1.759) 6.021 15.938 ( -7.817 -5.689 2.815) 10.069 16.104 ( -2.924 -5.615 -1.449) 6.494 16.636 ( 4.798 -14.756 -3.067) 15.817 17.012 ( 11.388 -5.157 -13.539) 18.428 17.910 ( 5.436 -2.297 6.944) 9.113 18.070 ( 0.147 -8.881 -8.637) 12.389 19.137 ( -7.951 3.819 -3.468) 9.478 19.250 ( 6.710 0.472 1.583) 6.910 19.647 ( -6.953 1.993 4.283) 8.405 19.872 ( 3.850 2.513 -0.302) 4.608 20.854 ( -2.642 6.190 6.378) 9.273 21.011 ( -3.112 0.534 -5.402) 6.257 22.104 ( -8.632 7.090 9.867) 14.904 22.506 ( 3.786 -3.207 -7.199) 8.743 23.235 ( -1.363 -0.113 3.164) 3.447 23.430 ( 5.428 -3.958 -3.917) 7.776 23.996 ( -0.859 0.526 6.973) 7.046 24.256 ( 1.255 -1.268 -8.603) 8.786 ======================= Grid point 205 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -5.538 5.960 -0.784) 8.174 1.673 ( -3.656 14.483 1.096) 14.977 1.905 ( -8.812 1.438 5.593) 10.536 2.101 ( -3.564 0.091 -1.016) 3.707 2.214 ( -0.403 5.874 1.683) 6.124 2.408 ( -1.992 -2.014 -6.820) 7.385 2.488 ( -9.412 4.081 5.331) 11.561 2.977 ( -10.525 7.141 3.082) 13.087 3.021 ( -0.069 2.085 -2.470) 3.233 3.121 ( -2.733 -1.249 -1.541) 3.376 3.268 ( 2.036 3.014 -2.800) 4.590 3.377 ( 1.183 4.322 0.145) 4.484 3.619 ( -2.065 5.124 0.100) 5.526 3.705 ( 1.839 0.857 7.710) 7.972 3.810 ( -12.532 1.097 -0.645) 12.596 4.087 ( 0.939 1.621 0.617) 1.972 4.235 ( -7.544 2.134 5.468) 9.558 4.536 ( -0.827 5.335 -8.152) 9.778 4.671 ( 7.391 -11.154 0.299) 13.384 4.790 ( 7.526 -2.336 0.647) 7.907 5.051 ( 6.788 7.682 -5.766) 11.761 5.382 ( 10.647 12.341 -0.645) 16.312 5.544 ( -2.415 6.639 3.365) 7.825 5.888 ( 2.469 1.294 -0.589) 2.850 6.012 ( -2.442 -4.716 -2.191) 5.745 6.169 ( -8.580 -5.342 2.854) 10.502 6.329 ( -0.860 -4.510 -2.947) 5.456 6.348 ( -6.192 4.625 -2.156) 8.024 6.637 ( -1.682 2.116 -10.834) 11.166 6.774 ( -0.236 -7.554 9.473) 12.119 6.903 ( 0.524 4.555 0.896) 4.672 7.203 ( 0.575 -1.682 5.888) 6.151 7.398 ( 0.972 2.520 -3.808) 4.668 7.567 ( 2.840 1.082 1.450) 3.367 7.824 ( -1.273 1.107 1.999) 2.616 8.116 ( 2.697 2.393 -6.569) 7.493 8.295 ( -0.995 -5.412 1.860) 5.808 8.552 ( 3.361 -5.788 0.396) 6.705 9.006 ( -2.904 2.109 0.520) 3.627 9.080 ( -8.925 8.979 5.390) 13.760 9.145 ( 0.630 2.828 -0.650) 2.969 9.471 ( -0.981 0.052 3.591) 3.723 9.684 ( -0.142 2.408 -0.637) 2.495 9.907 ( -0.214 1.189 -4.669) 4.822 10.550 ( -6.055 1.261 0.397) 6.197 10.711 ( 0.919 0.774 2.924) 3.161 11.592 ( 5.204 1.163 2.254) 5.789 11.801 ( 10.285 -5.105 -0.147) 11.483 12.759 ( -4.159 5.870 2.034) 7.476 12.988 ( -0.301 7.815 -0.697) 7.852 13.204 ( -10.358 -1.184 16.875) 19.836 13.801 ( -4.014 -1.848 5.988) 7.442 13.944 ( 6.390 -1.593 -7.793) 10.203 14.116 ( 2.267 1.091 -7.450) 7.863 14.275 ( 4.688 6.054 4.973) 9.130 14.442 ( 6.882 1.985 -6.792) 9.871 14.671 ( -3.178 0.526 3.693) 4.900 14.980 ( 3.690 -3.235 -8.708) 9.996 15.289 ( -6.784 -0.685 5.754) 8.922 15.749 ( 6.781 -4.399 1.303) 8.187 15.907 ( -8.989 -3.574 0.623) 9.694 16.093 ( -6.733 -2.021 6.041) 9.269 16.934 ( 10.779 -16.438 -7.481) 21.032 17.138 ( 10.463 -5.182 -10.785) 15.895 18.063 ( 5.696 -5.683 4.694) 9.315 18.178 ( 1.969 -11.565 -7.822) 14.100 18.925 ( -10.214 4.505 -4.832) 12.164 19.410 ( 11.198 -1.514 5.799) 12.701 19.545 ( -7.602 4.334 5.638) 10.410 19.874 ( 3.502 3.350 -0.099) 4.847 20.733 ( -8.430 6.458 6.324) 12.359 20.947 ( -0.578 1.806 -3.932) 4.365 21.830 ( -17.851 9.997 1.711) 20.531 22.633 ( 9.319 -3.557 -2.071) 10.188 23.243 ( -1.541 -1.905 2.061) 3.202 23.526 ( 7.115 -1.201 -3.591) 8.060 24.010 ( -2.690 0.045 5.900) 6.484 24.255 ( 2.445 -1.929 -6.294) 7.023 ======================= Grid point 206 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -2.946 7.036 1.620) 7.798 1.474 ( -1.480 11.566 4.090) 12.357 1.755 ( -6.976 6.529 3.898) 10.319 2.033 ( -7.479 -1.432 -4.946) 9.080 2.179 ( 3.969 5.342 1.038) 6.736 2.287 ( -8.443 0.797 0.831) 8.521 2.462 ( -3.167 -2.296 1.004) 4.039 2.791 ( -6.779 6.659 5.030) 10.751 2.975 ( 0.077 1.457 4.140) 4.389 3.089 ( -2.962 -2.610 -6.078) 7.248 3.233 ( 2.065 3.443 -2.305) 4.630 3.347 ( 1.099 3.510 -1.798) 4.094 3.558 ( 0.068 2.497 1.849) 3.108 3.654 ( -6.297 0.477 0.268) 6.320 3.834 ( 0.203 -5.958 7.467) 9.555 4.071 ( -2.870 2.851 4.250) 5.867 4.183 ( -3.803 -2.674 5.209) 6.981 4.412 ( 2.879 6.983 -7.712) 10.794 4.886 ( 10.531 -2.302 1.443) 10.876 4.911 ( 8.554 -1.300 -1.546) 8.790 5.084 ( 8.795 -2.274 -6.993) 11.465 5.319 ( 6.896 14.245 2.566) 16.033 5.454 ( -0.303 4.188 -1.180) 4.361 5.869 ( -2.845 4.123 -1.016) 5.111 6.010 ( -2.775 -0.273 -3.698) 4.631 6.114 ( -6.603 -4.206 1.428) 7.958 6.220 ( -7.890 -0.699 1.131) 8.001 6.382 ( -0.944 -6.731 -1.901) 7.058 6.497 ( -3.873 3.781 -10.092) 11.452 6.820 ( -1.968 1.917 -1.045) 2.939 6.960 ( 2.298 -6.877 8.077) 10.854 7.301 ( 3.736 -1.291 8.255) 9.152 7.393 ( 0.193 -3.113 -2.255) 3.849 7.585 ( 2.152 2.784 1.552) 3.845 7.785 ( -3.900 1.330 0.575) 4.160 8.096 ( 5.785 1.759 -6.720) 9.040 8.332 ( -3.123 -3.450 0.057) 4.654 8.611 ( -0.489 0.706 -0.365) 0.933 8.848 ( -6.348 9.613 0.202) 11.522 8.967 ( -2.613 -0.447 -0.753) 2.756 9.148 ( 1.189 0.586 2.351) 2.699 9.481 ( -2.455 -0.244 5.750) 6.257 9.656 ( 3.745 3.467 -1.339) 5.276 9.839 ( -2.934 1.710 -3.645) 4.981 10.497 ( -3.265 -0.913 1.705) 3.795 10.732 ( 0.877 0.930 3.587) 3.808 11.676 ( 6.134 -0.604 2.455) 6.635 12.014 ( 10.178 -6.337 0.997) 12.030 12.629 ( -4.054 5.345 -0.575) 6.733 12.841 ( -2.179 10.826 -1.383) 11.129 13.217 ( -10.370 -4.086 17.109) 20.419 13.809 ( -2.660 -1.770 1.560) 3.556 13.893 ( 1.449 4.025 -5.157) 6.701 14.171 ( 5.574 -1.860 -8.023) 9.945 14.320 ( 6.947 2.351 6.038) 9.500 14.471 ( 4.431 1.066 -1.929) 4.949 14.626 ( -2.914 1.813 -0.196) 3.437 15.001 ( 3.584 -1.144 -8.474) 9.272 15.263 ( -6.935 -4.060 3.233) 8.662 15.795 ( -8.089 0.299 -2.294) 8.413 15.903 ( 6.841 -2.476 -2.253) 7.616 16.111 ( -6.428 -3.809 16.126) 17.773 17.140 ( 7.337 -5.853 -9.749) 13.532 17.291 ( 10.016 -4.093 -8.329) 13.654 18.234 ( 6.619 -1.406 5.014) 8.422 18.328 ( -1.712 -20.698 -14.026) 25.061 18.753 ( -4.176 2.415 1.150) 4.959 19.397 ( -9.543 6.651 6.309) 13.233 19.577 ( 6.383 -0.010 -0.819) 6.436 19.921 ( 7.641 -0.172 6.124) 9.794 20.562 ( -12.066 6.576 8.350) 16.080 20.906 ( 2.325 0.837 -5.663) 6.179 21.496 ( -14.544 9.013 1.415) 17.168 22.758 ( 7.091 -1.480 -3.112) 7.884 23.262 ( -0.451 0.138 2.975) 3.012 23.588 ( 6.127 0.941 -3.702) 7.220 24.007 ( -3.614 -1.503 3.405) 5.188 24.286 ( 2.734 -2.017 -3.447) 4.840 ======================= Grid point 212 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -2.567 0.000 0.836) 2.700 1.840 ( -2.625 0.000 -4.707) 5.389 2.086 ( -2.021 0.000 -1.417) 2.468 2.235 ( -6.103 0.000 -2.968) 6.787 2.517 ( -6.090 0.000 3.863) 7.212 2.589 ( -1.983 0.000 0.991) 2.217 2.622 ( -5.979 0.000 1.604) 6.190 2.932 ( 1.812 -0.000 -3.856) 4.261 3.007 ( 0.498 -0.000 5.583) 5.605 3.266 ( -7.119 0.000 0.768) 7.160 3.320 ( -0.508 0.000 -6.289) 6.309 3.568 ( 1.899 -0.000 -0.057) 1.899 3.794 ( -1.999 0.000 -2.859) 3.489 3.804 ( -0.731 0.000 0.975) 1.218 4.039 ( 1.679 -0.000 -0.619) 1.789 4.115 ( 0.659 -0.000 -3.624) 3.684 4.276 ( -12.796 0.000 -0.667) 12.813 4.365 ( -6.515 0.000 5.722) 8.671 4.653 ( 5.508 -0.000 -2.601) 6.091 4.671 ( 0.982 -0.000 -7.222) 7.289 5.372 ( -0.467 0.000 6.141) 6.159 5.415 ( -1.165 0.000 4.365) 4.517 5.769 ( 3.372 -0.000 3.837) 5.108 5.911 ( 5.052 -0.000 -3.827) 6.338 6.053 ( -12.947 0.000 -7.901) 15.167 6.119 ( -2.924 0.000 -1.615) 3.341 6.192 ( 5.563 -0.000 9.539) 11.043 6.372 ( 3.277 -0.000 1.239) 3.504 6.520 ( 6.829 -0.000 -0.392) 6.841 6.741 ( 1.664 -0.000 -12.153) 12.266 7.035 ( -2.867 0.000 8.484) 8.955 7.179 ( -5.256 0.000 1.605) 5.496 7.561 ( -1.992 0.000 2.746) 3.392 7.664 ( -1.325 0.000 -9.354) 9.448 7.913 ( 3.828 -0.000 7.365) 8.300 8.040 ( 1.257 -0.000 -2.344) 2.660 8.047 ( 3.111 -0.000 8.780) 9.315 8.302 ( 4.134 -0.000 -9.314) 10.191 9.073 ( 0.098 -0.000 8.607) 8.608 9.290 ( -0.591 0.000 -5.236) 5.269 9.297 ( -4.547 0.000 15.482) 16.136 9.481 ( -7.473 0.000 -3.366) 8.196 9.727 ( 0.771 -0.000 0.712) 1.050 9.936 ( 3.614 -0.000 -9.296) 9.974 10.688 ( -2.991 0.000 0.980) 3.148 10.725 ( -2.325 0.000 -0.780) 2.452 11.594 ( 6.258 -0.000 1.307) 6.393 11.595 ( 3.447 -0.000 -1.475) 3.750 12.830 ( -10.424 0.000 23.274) 25.501 13.135 ( -8.558 0.000 -2.759) 8.992 13.374 ( 10.350 -0.000 9.247) 13.879 13.637 ( 5.818 -0.000 -12.297) 13.604 13.788 ( -5.962 0.000 9.997) 11.640 14.336 ( -1.202 0.000 -13.125) 13.180 14.358 ( 7.279 -0.000 12.118) 14.137 14.544 ( 1.110 -0.000 -5.804) 5.909 14.652 ( -3.270 0.000 -4.014) 5.177 14.781 ( 1.546 -0.000 -6.500) 6.681 15.447 ( -1.442 0.000 7.434) 7.573 15.582 ( 0.113 -0.000 1.785) 1.788 15.842 ( -1.696 0.000 -0.036) 1.697 15.992 ( 0.709 -0.000 -1.075) 1.288 16.408 ( -4.082 0.000 0.124) 4.084 16.942 ( 13.843 -0.000 -13.923) 19.633 17.911 ( 10.558 -0.000 6.545) 12.422 17.929 ( -4.876 0.000 -9.203) 10.415 19.201 ( -9.391 0.000 -6.965) 11.692 19.251 ( 7.626 -0.000 4.726) 8.972 19.674 ( -6.029 0.000 4.677) 7.630 19.908 ( 4.086 -0.000 -0.102) 4.088 20.958 ( 1.478 -0.000 5.405) 5.603 21.000 ( -7.090 0.000 -5.247) 8.820 22.246 ( 4.545 -0.000 15.480) 16.133 22.407 ( -10.591 0.000 -11.064) 15.316 23.267 ( -4.836 0.000 -5.469) 7.301 23.337 ( 9.279 -0.000 3.754) 10.010 24.010 ( 0.475 -0.000 6.198) 6.216 24.238 ( 0.670 -0.000 -8.542) 8.569 ======================= Grid point 213 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -3.878 -2.621 0.492) 4.707 1.783 ( -11.824 -5.051 5.788) 14.101 1.992 ( -2.706 7.896 -3.149) 8.921 2.126 ( -6.047 -0.563 -4.469) 7.540 2.402 ( -8.377 5.917 7.322) 12.601 2.462 ( -5.049 5.637 -6.749) 10.140 2.586 ( -4.954 -0.277 2.526) 5.568 2.952 ( 0.723 -3.379 -6.112) 7.021 3.065 ( -2.257 0.526 10.020) 10.284 3.153 ( -8.234 1.919 1.996) 8.687 3.301 ( 3.809 -0.056 -7.316) 8.248 3.520 ( -3.417 5.098 0.789) 6.188 3.705 ( -7.136 0.476 -1.436) 7.294 3.764 ( -1.818 3.806 0.197) 4.223 3.970 ( -6.485 7.600 3.573) 10.611 4.113 ( 0.241 -0.577 -4.710) 4.752 4.233 ( -4.890 -5.144 2.639) 7.572 4.347 ( -1.356 -5.554 5.155) 7.698 4.629 ( 0.241 1.804 -5.678) 5.963 4.704 ( 1.701 -3.128 0.162) 3.564 5.317 ( 1.329 9.647 1.080) 9.798 5.493 ( 3.418 -1.604 3.362) 5.055 5.715 ( -12.357 -0.643 -0.842) 12.402 5.864 ( -0.578 3.557 -3.118) 4.765 5.978 ( 5.386 -1.424 -4.006) 6.862 6.125 ( 1.826 -3.029 -3.500) 4.976 6.228 ( -0.533 6.463 5.518) 8.515 6.470 ( -3.248 -4.950 4.292) 7.313 6.608 ( 10.038 0.108 -0.070) 10.039 6.657 ( -1.948 0.012 -11.763) 11.923 7.053 ( 0.960 3.284 5.655) 6.610 7.135 ( -4.033 -1.442 3.585) 5.585 7.500 ( -4.191 4.196 -4.585) 7.496 7.612 ( 1.669 -0.607 0.139) 1.781 7.912 ( 1.945 7.308 3.555) 8.356 8.104 ( 1.575 -3.069 1.817) 3.899 8.191 ( 5.513 -3.314 1.400) 6.583 8.340 ( 4.592 -6.997 -5.211) 9.859 9.085 ( -2.994 2.586 5.412) 6.703 9.218 ( -2.128 1.913 -7.267) 7.810 9.273 ( -7.395 5.700 9.132) 13.061 9.409 ( -6.101 -4.070 3.755) 8.240 9.731 ( 1.030 1.324 -0.466) 1.741 9.918 ( 1.909 -0.346 -8.179) 8.406 10.618 ( -5.474 3.051 0.316) 6.275 10.709 ( -1.008 -0.959 1.925) 2.375 11.645 ( 7.080 1.875 -0.365) 7.333 11.710 ( 9.384 -1.779 0.617) 9.571 12.862 ( -5.440 1.195 16.728) 17.631 12.996 ( -10.985 -1.496 0.744) 11.111 13.420 ( 3.161 12.071 6.109) 13.894 13.746 ( 5.429 -7.618 -1.225) 9.434 13.795 ( -0.364 -1.941 4.085) 4.537 14.211 ( -3.179 2.826 -10.718) 11.531 14.448 ( 4.255 6.513 4.602) 9.039 14.496 ( 5.575 1.412 -10.975) 12.390 14.649 ( -2.118 -2.610 6.524) 7.339 14.806 ( 0.834 -6.094 -7.567) 9.752 15.407 ( -2.582 7.027 5.828) 9.488 15.644 ( 2.118 -3.943 3.615) 5.753 15.825 ( -2.873 -1.156 0.600) 3.155 16.022 ( -2.120 -3.285 2.285) 4.528 16.455 ( 1.714 -13.491 -4.765) 14.411 17.048 ( 13.867 -1.690 -13.104) 19.154 17.859 ( -2.233 -5.061 -7.800) 9.562 18.099 ( 11.932 0.017 5.839) 13.285 19.036 ( -8.137 2.755 -4.430) 9.666 19.393 ( 8.737 -0.178 7.129) 11.278 19.621 ( -5.633 1.437 4.575) 7.398 19.942 ( 3.584 1.476 -0.951) 3.990 20.853 ( -8.647 2.419 -2.561) 9.337 20.988 ( -0.933 0.985 3.455) 3.711 22.108 ( -12.138 10.734 -2.945) 16.468 22.447 ( 0.341 -9.572 4.922) 10.768 23.199 ( -0.640 -0.752 -4.461) 4.568 23.470 ( 6.806 -1.971 0.922) 7.145 24.045 ( -0.095 1.472 6.215) 6.387 24.209 ( 1.657 -1.191 -7.198) 7.482 ======================= Grid point 214 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -9.310 -0.337 -0.922) 9.362 1.693 ( -15.624 0.187 7.948) 17.530 1.841 ( -9.477 3.070 3.793) 10.659 2.075 ( 1.794 0.202 -5.877) 6.148 2.270 ( -1.863 6.249 -1.833) 6.773 2.308 ( -6.576 1.117 0.538) 6.692 2.526 ( -2.628 4.852 3.642) 6.612 2.936 ( -8.087 2.429 -0.910) 8.493 2.951 ( -4.984 -1.292 -2.945) 5.931 3.115 ( -2.964 3.181 4.487) 6.248 3.299 ( 1.621 1.788 -3.729) 4.442 3.410 ( -3.923 3.187 1.675) 5.324 3.629 ( -7.151 -2.928 1.319) 7.838 3.687 ( -1.842 4.028 -0.010) 4.429 3.828 ( -2.381 7.313 5.737) 9.594 4.084 ( -5.379 -2.761 -0.865) 6.107 4.179 ( -7.552 2.565 7.153) 10.714 4.559 ( 2.838 -1.594 -6.200) 7.003 4.566 ( 3.954 -9.533 1.231) 10.393 4.791 ( 0.367 -6.439 2.487) 6.913 5.213 ( 4.768 7.773 -5.897) 10.859 5.504 ( -4.145 0.318 -2.949) 5.096 5.596 ( -3.926 1.725 1.648) 4.594 5.868 ( 4.332 0.292 1.563) 4.615 5.998 ( -1.601 -0.276 -5.002) 5.259 6.158 ( 4.821 6.737 2.234) 8.580 6.163 ( -5.707 -3.524 -0.095) 6.708 6.412 ( -0.273 6.425 -3.737) 7.438 6.569 ( -0.325 0.834 -10.713) 10.751 6.771 ( 4.870 -5.548 7.336) 10.407 7.011 ( 0.607 8.672 1.472) 8.817 7.179 ( -1.736 -5.053 6.923) 8.744 7.388 ( -1.020 0.885 -4.530) 4.727 7.660 ( 2.540 0.261 1.698) 3.066 7.858 ( 0.584 5.766 2.144) 6.180 8.140 ( 3.150 0.726 -4.317) 5.393 8.256 ( 1.750 -1.501 0.269) 2.321 8.510 ( 4.006 -7.841 1.493) 8.930 8.985 ( -5.225 4.039 -4.489) 7.986 9.120 ( -8.375 7.469 4.800) 12.205 9.140 ( -2.955 -0.254 -1.709) 3.423 9.434 ( -4.762 -3.499 7.147) 9.274 9.718 ( 2.097 1.709 -2.440) 3.643 9.887 ( -0.160 0.975 -5.506) 5.594 10.510 ( -5.312 2.445 1.485) 6.033 10.737 ( 0.708 -0.792 2.998) 3.181 11.711 ( 8.020 2.726 0.630) 8.494 11.881 ( 10.998 -3.718 0.876) 11.642 12.763 ( -7.304 4.135 -2.535) 8.768 13.004 ( -3.421 -1.995 12.068) 12.701 13.278 ( -5.655 12.464 9.646) 16.744 13.785 ( -2.464 0.499 5.442) 5.994 13.927 ( 4.189 -5.073 -5.377) 8.497 14.109 ( 2.550 0.177 -7.975) 8.374 14.413 ( 4.084 4.184 -3.680) 6.908 14.531 ( 5.472 1.180 -0.123) 5.599 14.664 ( -2.997 1.350 4.316) 5.425 14.853 ( -0.111 -7.529 -8.713) 11.516 15.306 ( -3.187 6.367 3.788) 8.065 15.734 ( -1.670 -3.275 2.240) 4.305 15.834 ( 2.413 -2.430 1.161) 3.616 16.039 ( -5.304 -1.887 9.846) 11.341 16.728 ( 6.958 -22.588 -8.901) 25.256 17.172 ( 13.278 -2.857 -10.329) 17.063 17.907 ( -0.122 -10.526 -7.546) 12.952 18.266 ( 11.739 2.004 4.632) 12.778 18.875 ( -5.990 5.417 -0.401) 8.086 19.521 ( -0.737 2.253 4.054) 4.696 19.572 ( 2.655 0.530 5.240) 5.898 19.959 ( 4.179 1.952 0.135) 4.615 20.691 ( -10.391 3.210 0.768) 10.903 20.959 ( -1.619 2.520 1.196) 3.226 21.764 ( -14.494 11.619 -2.720) 18.775 22.602 ( -0.043 -10.451 1.280) 10.530 23.214 ( 1.957 -1.994 -1.346) 3.102 23.571 ( 5.742 -2.081 -2.231) 6.502 24.038 ( -1.393 2.992 4.685) 5.731 24.225 ( 2.223 -2.279 -3.940) 5.066 ======================= Grid point 215 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -11.435 -2.419 2.091) 11.873 1.555 ( -8.953 2.403 5.736) 10.901 1.715 ( -6.806 1.542 2.148) 7.301 1.985 ( -1.535 6.305 -7.201) 9.694 2.227 ( 1.801 1.491 1.652) 2.863 2.263 ( -2.268 1.045 0.221) 2.507 2.462 ( -1.259 3.467 4.630) 5.920 2.810 ( -4.647 2.324 3.134) 6.068 2.921 ( -5.372 -5.277 -0.638) 7.558 3.036 ( -2.659 2.898 -0.306) 3.945 3.259 ( 0.122 2.041 -2.709) 3.394 3.361 ( -2.591 0.753 -0.336) 2.719 3.593 ( -2.896 -0.649 -1.243) 3.218 3.623 ( 1.018 4.337 1.619) 4.740 3.798 ( -5.086 -2.219 5.519) 7.826 4.051 ( -12.478 -4.967 10.733) 17.192 4.118 ( -0.143 1.483 2.101) 2.575 4.501 ( 4.568 4.942 -6.297) 9.216 4.810 ( 1.351 -12.283 -0.631) 12.373 4.905 ( -0.662 -9.147 1.757) 9.338 5.192 ( 8.370 1.469 -7.193) 11.133 5.411 ( -8.972 -1.225 1.614) 9.198 5.570 ( 8.953 6.872 -1.988) 11.460 5.811 ( -13.620 2.005 -4.768) 14.569 5.979 ( 4.089 0.601 0.906) 4.231 6.127 ( 5.021 7.604 0.290) 9.117 6.158 ( -0.832 -1.448 0.518) 1.749 6.328 ( -0.090 1.454 -4.243) 4.486 6.479 ( 1.030 4.793 -7.508) 8.967 6.872 ( -1.660 9.700 -0.330) 9.847 6.966 ( 5.962 -6.947 6.318) 11.123 7.290 ( -0.830 -7.069 5.556) 9.029 7.392 ( 1.830 -0.475 1.769) 2.589 7.662 ( 0.064 3.136 0.104) 3.139 7.800 ( -0.214 5.125 2.007) 5.508 8.137 ( 4.690 0.946 -7.774) 9.129 8.281 ( -0.673 -0.193 1.676) 1.816 8.594 ( -1.460 -0.694 -0.617) 1.731 8.858 ( -1.402 1.515 -6.656) 6.969 8.953 ( -6.875 6.145 3.679) 9.928 9.135 ( -2.168 -3.506 1.635) 4.435 9.455 ( -4.722 -2.386 6.584) 8.446 9.719 ( 3.703 0.710 -3.431) 5.098 9.815 ( -2.151 3.208 -3.169) 4.996 10.461 ( -2.983 -0.899 2.547) 4.024 10.773 ( 1.173 0.399 3.036) 3.279 11.779 ( 6.916 2.125 0.744) 7.273 12.077 ( 9.531 -4.157 1.626) 10.524 12.614 ( -5.624 2.665 -2.822) 6.834 12.935 ( -4.124 11.325 -3.167) 12.461 13.184 ( -9.150 0.314 22.343) 24.146 13.775 ( -1.040 -0.290 0.256) 1.110 13.933 ( 1.748 2.267 -3.044) 4.179 14.156 ( 3.873 -2.790 -6.593) 8.140 14.413 ( 3.734 0.335 -1.487) 4.033 14.577 ( 3.357 1.773 2.224) 4.400 14.601 ( -3.545 3.386 0.065) 4.902 14.892 ( -0.099 -7.064 -9.444) 11.794 15.223 ( -2.931 3.097 2.711) 5.053 15.720 ( -4.369 -0.052 2.595) 5.082 15.924 ( 5.314 -2.492 -5.684) 8.170 16.100 ( -3.755 -3.458 19.288) 19.952 17.016 ( 5.147 -16.305 -10.405) 20.015 17.337 ( 13.360 -3.473 -7.906) 15.907 18.001 ( -2.151 -11.584 -7.635) 14.039 18.391 ( 9.662 4.442 2.355) 10.892 18.783 ( 0.841 1.730 4.052) 4.485 19.405 ( -7.277 6.711 2.650) 10.248 19.639 ( 2.638 1.458 -1.237) 3.259 20.037 ( 6.993 -1.579 4.575) 8.504 20.515 ( -12.360 4.378 5.678) 14.290 20.919 ( 1.155 1.351 -3.091) 3.566 21.457 ( -10.494 8.114 -0.175) 13.266 22.728 ( 0.221 -8.125 -1.844) 8.334 23.257 ( 0.195 -2.041 1.154) 2.353 23.637 ( 5.020 -0.639 -4.627) 6.856 24.003 ( -1.781 2.848 4.021) 5.240 24.266 ( 1.954 -2.718 -2.142) 3.974 ======================= Grid point 222 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -6.215 0.000 3.052) 6.924 1.599 ( -17.144 0.000 8.318) 19.055 1.922 ( -15.846 0.000 1.370) 15.906 2.032 ( 1.536 -0.000 -8.280) 8.421 2.368 ( -8.070 0.000 4.066) 9.037 2.432 ( -4.880 0.000 -4.673) 6.756 2.519 ( -1.578 0.000 2.252) 2.750 2.890 ( -1.671 0.000 -6.869) 7.069 3.042 ( -10.412 0.000 0.065) 10.412 3.155 ( -0.341 0.000 12.629) 12.633 3.314 ( 5.538 -0.000 -7.271) 9.139 3.500 ( -7.835 0.000 4.182) 8.881 3.578 ( -10.671 0.000 0.847) 10.704 3.752 ( -3.182 0.000 -1.951) 3.733 3.959 ( -11.721 0.000 1.174) 11.780 4.034 ( -4.905 0.000 3.764) 6.183 4.230 ( 7.152 -0.000 -2.837) 7.694 4.311 ( -3.224 0.000 7.850) 8.486 4.624 ( 0.456 -0.000 -2.404) 2.447 4.663 ( -3.344 0.000 1.438) 3.640 5.411 ( -2.051 0.000 -1.008) 2.285 5.432 ( -16.726 0.000 -7.635) 18.387 5.550 ( 6.470 -0.000 2.918) 7.097 5.928 ( 0.567 -0.000 -1.976) 2.056 5.990 ( 5.484 -0.000 -1.184) 5.611 6.081 ( -2.423 0.000 -3.535) 4.286 6.369 ( 3.120 -0.000 -1.250) 3.361 6.423 ( 1.446 -0.000 5.174) 5.372 6.578 ( 0.316 -0.000 -6.871) 6.878 6.724 ( 8.686 -0.000 -1.951) 8.902 7.108 ( -1.612 0.000 2.771) 3.206 7.110 ( 0.532 -0.000 4.772) 4.802 7.516 ( -3.960 0.000 3.859) 5.529 7.529 ( -1.046 0.000 -6.403) 6.488 8.062 ( 2.075 -0.000 -2.971) 3.624 8.092 ( 3.258 -0.000 5.690) 6.557 8.293 ( 7.190 -0.000 8.394) 11.052 8.296 ( 5.445 -0.000 -8.565) 10.149 9.069 ( -7.779 0.000 3.906) 8.705 9.122 ( -4.584 0.000 -12.154) 12.990 9.256 ( -8.296 0.000 1.863) 8.503 9.346 ( -5.283 0.000 12.083) 13.187 9.754 ( 1.362 -0.000 -0.700) 1.531 9.882 ( 1.668 -0.000 -8.737) 8.895 10.576 ( -5.789 0.000 -0.485) 5.809 10.707 ( 0.284 -0.000 4.023) 4.033 11.771 ( 10.186 -0.000 0.112) 10.187 11.819 ( 9.832 -0.000 -0.204) 9.834 12.821 ( -10.552 0.000 -5.377) 11.843 12.951 ( -2.628 0.000 22.088) 22.243 13.638 ( -3.315 0.000 17.952) 18.256 13.670 ( 5.701 -0.000 -11.463) 12.802 13.815 ( 0.548 -0.000 4.106) 4.142 14.126 ( -2.579 0.000 -9.083) 9.442 14.473 ( 6.858 -0.000 -17.042) 18.370 14.591 ( 3.110 -0.000 -0.824) 3.217 14.601 ( -4.663 0.000 6.164) 7.729 14.770 ( 1.620 -0.000 0.577) 1.720 15.477 ( -2.863 0.000 5.547) 6.242 15.666 ( 3.162 -0.000 6.964) 7.649 15.802 ( -1.995 0.000 1.121) 2.288 15.999 ( -0.636 0.000 3.536) 3.592 16.331 ( 1.465 -0.000 -6.658) 6.817 17.135 ( 14.469 -0.000 -13.952) 20.100 17.769 ( 0.069 -0.000 -3.923) 3.924 18.295 ( 12.749 -0.000 4.634) 13.565 18.960 ( -5.114 0.000 -0.006) 5.114 19.534 ( 6.709 -0.000 6.747) 9.515 19.596 ( -3.564 0.000 3.221) 4.804 19.988 ( 3.449 -0.000 -1.481) 3.753 20.734 ( -9.004 0.000 -2.923) 9.466 21.000 ( -2.690 0.000 4.203) 4.990 22.023 ( -8.439 0.000 -12.414) 15.011 22.344 ( -10.655 0.000 11.245) 15.491 23.191 ( 5.121 -0.000 -5.018) 7.170 23.531 ( 4.054 -0.000 0.632) 4.103 24.096 ( -0.279 0.000 6.126) 6.132 24.184 ( 2.376 -0.000 -5.831) 6.297 ======================= Grid point 223 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -15.944 2.441 3.306) 16.465 1.471 ( -19.553 -5.230 8.945) 22.129 1.772 ( -7.893 1.636 4.141) 9.062 2.045 ( 3.301 -4.444 -5.842) 8.048 2.246 ( -4.319 4.066 -5.478) 8.074 2.332 ( -3.338 3.148 1.209) 4.744 2.564 ( 0.924 -0.315 5.165) 5.257 2.800 ( -9.647 -2.379 -5.310) 11.266 2.886 ( -9.262 3.533 0.821) 9.947 3.154 ( -4.338 4.126 4.460) 7.466 3.322 ( 1.783 2.689 -2.988) 4.398 3.409 ( -5.395 3.345 4.192) 7.607 3.509 ( -6.261 -4.670 5.770) 9.711 3.694 ( -2.549 -0.213 -3.129) 4.041 3.815 ( -11.531 0.389 0.354) 11.543 3.974 ( -8.183 0.878 7.837) 11.365 4.226 ( 0.608 5.817 2.975) 6.562 4.446 ( 3.628 -11.389 0.672) 11.972 4.594 ( -0.009 1.753 -1.368) 2.223 4.681 ( -5.054 -7.185 3.346) 9.400 5.199 ( -8.490 -0.222 -8.943) 12.333 5.362 ( -4.657 -1.037 -3.701) 6.038 5.661 ( 7.690 0.710 2.052) 7.991 5.806 ( -14.768 -0.731 -7.819) 16.726 6.035 ( 7.386 2.246 0.026) 7.720 6.120 ( 4.461 -0.757 3.621) 5.795 6.360 ( 5.073 6.352 -2.565) 8.525 6.409 ( 1.143 2.270 -9.406) 9.743 6.597 ( 4.991 3.147 0.757) 5.948 6.827 ( 6.997 -2.189 2.221) 7.660 7.111 ( -0.227 2.176 2.760) 3.522 7.161 ( 1.012 -1.617 5.069) 5.416 7.382 ( -1.175 5.097 -1.186) 5.363 7.607 ( -1.629 -7.255 0.259) 7.440 8.001 ( 1.958 7.499 -0.470) 7.764 8.159 ( 3.032 0.438 -1.848) 3.578 8.310 ( 4.999 2.094 0.288) 5.427 8.485 ( 4.950 -6.199 4.125) 8.941 8.923 ( -6.829 3.442 -7.324) 10.588 9.011 ( -8.787 -2.833 -4.137) 10.117 9.144 ( -6.569 4.088 4.030) 8.724 9.367 ( -6.364 -3.253 8.851) 11.376 9.751 ( 2.133 1.770 -2.811) 3.948 9.860 ( 1.289 -0.477 -6.822) 6.959 10.482 ( -5.414 1.953 0.323) 5.764 10.758 ( 1.864 -1.099 3.912) 4.470 11.866 ( 9.083 3.927 0.220) 9.898 11.975 ( 10.564 -3.684 0.260) 11.191 12.662 ( -8.119 0.861 -5.255) 9.710 13.059 ( 0.100 -0.021 13.645) 13.645 13.451 ( -6.445 16.724 7.910) 19.591 13.810 ( -1.475 -0.033 6.042) 6.220 13.850 ( 0.793 -7.545 -0.711) 7.620 14.080 ( 1.864 -1.993 -6.337) 6.900 14.458 ( 7.060 1.257 -13.950) 15.685 14.558 ( -2.842 0.222 3.857) 4.796 14.625 ( -2.314 -3.671 -4.275) 6.092 14.789 ( 0.549 0.439 0.916) 1.154 15.397 ( -2.692 8.669 3.841) 9.856 15.723 ( -1.677 1.875 5.772) 6.297 15.843 ( 4.162 -3.974 0.117) 5.756 16.045 ( -2.019 -1.188 14.975) 15.158 16.459 ( 5.746 -19.101 -9.723) 22.190 17.241 ( 13.815 -2.425 -13.039) 19.151 17.810 ( 3.411 -3.266 1.346) 4.911 18.462 ( 11.388 0.951 2.751) 11.754 18.892 ( -3.600 3.700 3.027) 5.985 19.560 ( -0.620 4.314 2.224) 4.893 19.639 ( 3.000 -0.900 3.148) 4.441 20.020 ( 3.767 -0.267 -1.446) 4.044 20.602 ( -8.619 1.894 0.008) 8.824 20.972 ( -2.811 1.768 2.503) 4.159 21.735 ( -10.696 12.212 -8.073) 18.131 22.373 ( -9.853 -15.684 3.738) 18.896 23.240 ( 5.551 0.586 -2.804) 6.246 23.583 ( 2.945 -2.223 -2.044) 4.219 24.098 ( -0.693 3.129 4.535) 5.553 24.203 ( 2.096 -1.910 -2.702) 3.917 ======================= Grid point 224 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -15.596 -3.082 5.649) 16.872 1.365 ( -17.179 -7.812 4.686) 19.445 1.734 ( 2.222 1.837 4.163) 5.064 2.008 ( -1.612 6.110 -8.112) 10.283 2.219 ( -0.499 -4.017 -2.110) 4.565 2.289 ( 1.301 0.809 0.722) 1.694 2.550 ( -1.959 6.000 7.308) 9.657 2.675 ( -14.946 -6.939 -0.658) 16.491 2.816 ( -2.242 -3.711 4.065) 5.943 3.052 ( -2.503 4.825 -1.033) 5.533 3.282 ( 0.604 3.085 -1.403) 3.442 3.330 ( -4.546 2.425 1.736) 5.437 3.556 ( -0.317 -2.293 2.192) 3.188 3.635 ( -9.707 -3.001 -2.428) 10.447 3.702 ( -1.497 0.896 1.308) 2.180 3.942 ( -8.557 -2.535 13.977) 16.584 4.169 ( -0.344 4.838 2.356) 5.393 4.548 ( 0.585 0.496 -3.532) 3.615 4.646 ( 0.428 -11.382 -4.089) 12.101 4.743 ( -6.875 -9.448 4.044) 12.364 5.114 ( -5.997 -5.830 -4.635) 9.562 5.320 ( -1.160 -2.287 -3.207) 4.106 5.557 ( -16.095 -1.741 -10.166) 19.117 5.750 ( 9.610 3.334 0.263) 10.176 6.095 ( 5.512 2.644 -1.050) 6.203 6.188 ( 3.543 2.622 1.470) 4.646 6.280 ( -1.449 4.624 -0.488) 4.870 6.368 ( 11.015 6.075 -7.703) 14.750 6.591 ( 5.837 7.870 0.074) 9.799 6.973 ( 2.892 -0.216 2.217) 3.650 7.025 ( 3.100 6.243 0.984) 7.039 7.247 ( 0.688 -3.814 6.121) 7.245 7.401 ( 2.165 -3.608 3.466) 5.451 7.640 ( -3.584 -1.728 0.300) 3.990 7.918 ( 1.386 7.414 -0.760) 7.581 8.157 ( 3.692 2.223 -6.143) 7.504 8.335 ( 2.088 3.364 3.582) 5.339 8.558 ( -2.439 -0.088 -0.604) 2.514 8.793 ( -1.048 -0.822 -10.194) 10.280 8.948 ( -5.387 -1.720 3.034) 6.418 9.058 ( -5.000 -0.028 3.563) 6.140 9.375 ( -7.427 -4.241 6.585) 10.793 9.744 ( 3.291 0.793 -4.161) 5.364 9.823 ( 0.186 2.567 -4.247) 4.966 10.423 ( -3.569 -0.877 2.120) 4.243 10.811 ( 1.983 0.031 2.103) 2.891 11.905 ( 5.988 4.289 -0.855) 7.415 12.159 ( 9.337 -3.344 1.468) 10.026 12.540 ( -4.759 0.715 -3.711) 6.077 12.988 ( -7.216 11.689 -6.894) 15.370 13.273 ( -6.706 6.617 22.748) 24.622 13.775 ( -0.783 1.948 -0.527) 2.164 13.961 ( 2.630 -2.198 3.934) 5.218 14.108 ( 0.119 -2.945 -4.788) 5.623 14.445 ( 4.966 1.391 -8.000) 9.518 14.538 ( -5.670 -0.712 2.822) 6.374 14.612 ( -0.087 -3.114 -6.703) 7.392 14.794 ( -0.431 -1.607 -1.281) 2.100 15.284 ( -0.967 7.000 3.799) 8.023 15.706 ( -3.607 0.807 6.743) 7.690 15.912 ( 4.383 -1.647 -7.831) 9.124 16.176 ( 0.757 -1.575 23.110) 23.176 16.751 ( 4.337 -20.657 -11.384) 23.982 17.387 ( 12.280 -4.838 -12.486) 18.169 17.948 ( 8.171 -2.100 9.182) 12.469 18.565 ( 5.716 4.060 0.362) 7.021 18.855 ( 2.981 0.994 4.745) 5.691 19.446 ( -3.964 10.469 -0.391) 11.202 19.658 ( -0.372 0.648 -2.296) 2.415 20.099 ( 5.063 -3.359 0.827) 6.132 20.473 ( -7.502 3.890 5.546) 10.108 20.926 ( -0.412 1.545 -2.710) 3.147 21.433 ( -8.642 7.336 -3.019) 11.731 22.512 ( -6.470 -17.649 -0.780) 18.813 23.254 ( 0.473 1.405 -0.845) 1.707 23.637 ( 3.474 -2.780 -5.881) 7.375 24.070 ( -0.287 4.155 4.640) 6.236 24.239 ( 1.146 -2.482 -1.345) 3.046 ======================= Grid point 232 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -20.558 0.000 8.689) 22.319 1.220 ( -21.019 0.000 6.996) 22.153 1.779 ( 0.692 -0.000 5.999) 6.039 2.007 ( 2.368 -0.000 -4.047) 4.689 2.189 ( -3.556 0.000 -6.670) 7.559 2.300 ( -1.811 0.000 -4.048) 4.435 2.543 ( -26.569 0.000 3.495) 26.798 2.622 ( 1.690 -0.000 7.885) 8.064 2.808 ( -6.870 0.000 -0.370) 6.880 3.139 ( -3.331 0.000 -0.709) 3.405 3.401 ( -5.534 0.000 7.025) 8.943 3.404 ( 6.766 -0.000 -3.062) 7.427 3.434 ( -4.100 0.000 8.321) 9.277 3.593 ( -5.182 0.000 -6.533) 8.339 3.709 ( -7.255 0.000 0.551) 7.276 3.914 ( -9.847 0.000 9.376) 13.596 4.351 ( -1.640 0.000 5.474) 5.715 4.376 ( 5.770 -0.000 -2.157) 6.160 4.537 ( -9.560 0.000 3.415) 10.152 4.590 ( -3.434 0.000 -0.910) 3.553 5.039 ( -5.645 0.000 -7.337) 9.257 5.289 ( -2.750 0.000 -5.169) 5.854 5.520 ( -17.310 0.000 -12.105) 21.123 5.792 ( 9.406 -0.000 2.185) 9.656 6.118 ( 5.914 -0.000 -1.077) 6.011 6.261 ( 8.897 -0.000 7.189) 11.439 6.306 ( -3.200 0.000 -9.753) 10.265 6.499 ( 9.234 -0.000 -9.039) 12.922 6.725 ( 6.253 -0.000 6.938) 9.340 6.907 ( 7.656 -0.000 -0.867) 7.705 7.156 ( 2.248 -0.000 3.014) 3.760 7.178 ( 0.587 -0.000 5.288) 5.320 7.475 ( -3.009 0.000 4.282) 5.234 7.485 ( 2.353 -0.000 -3.202) 3.974 8.030 ( 0.222 -0.000 -6.506) 6.510 8.215 ( 1.314 -0.000 4.500) 4.688 8.406 ( 7.991 -0.000 -2.499) 8.372 8.537 ( 3.301 -0.000 6.788) 7.548 8.811 ( -12.592 0.000 0.283) 12.595 8.827 ( -4.382 0.000 -14.426) 15.077 9.122 ( -5.192 0.000 4.851) 7.106 9.301 ( -9.069 0.000 8.411) 12.369 9.780 ( 2.709 -0.000 -2.785) 3.885 9.831 ( 2.595 -0.000 -7.934) 8.347 10.426 ( -4.922 0.000 -0.388) 4.937 10.803 ( 2.427 -0.000 3.220) 4.033 12.024 ( 6.269 -0.000 -2.516) 6.755 12.049 ( 9.994 -0.000 2.114) 10.215 12.557 ( -3.794 0.000 -4.734) 6.067 13.116 ( -0.844 0.000 1.187) 1.457 13.578 ( -0.577 0.000 -10.512) 10.528 13.777 ( -5.428 0.000 30.332) 30.814 13.834 ( -1.461 0.000 1.563) 2.139 14.043 ( 1.108 -0.000 -5.569) 5.678 14.470 ( 7.053 -0.000 -13.494) 15.226 14.535 ( -6.320 0.000 7.218) 9.594 14.544 ( 0.228 -0.000 -8.214) 8.217 14.782 ( -2.477 0.000 -1.451) 2.871 15.459 ( -2.700 0.000 5.211) 5.869 15.770 ( -2.942 0.000 3.408) 4.502 15.859 ( 5.663 -0.000 -1.161) 5.781 16.160 ( 1.743 -0.000 25.837) 25.896 16.333 ( 7.563 -0.000 -9.301) 11.988 17.301 ( 12.456 -0.000 -13.919) 18.678 17.921 ( 10.517 -0.000 12.183) 16.095 18.597 ( 7.129 -0.000 0.928) 7.189 18.892 ( -3.010 0.000 3.685) 4.758 19.655 ( 5.951 -0.000 2.709) 6.538 19.657 ( -0.752 0.000 0.546) 0.929 20.025 ( 1.945 -0.000 -5.441) 5.779 20.536 ( -4.748 0.000 1.423) 4.956 20.963 ( -2.851 0.000 1.362) 3.160 21.657 ( -8.420 0.000 -14.857) 17.077 22.092 ( -16.441 0.000 7.719) 18.163 23.309 ( 6.091 -0.000 -3.328) 6.941 23.566 ( -0.234 0.000 -3.231) 3.240 24.134 ( -2.041 0.000 5.058) 5.455 24.205 ( 2.931 -0.000 -2.476) 3.837 ======================= Grid point 233 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -17.332 -1.394 9.934) 20.026 1.028 ( -22.028 -6.860 4.360) 23.480 1.848 ( 7.279 1.120 4.426) 8.592 1.991 ( -2.880 2.428 -6.921) 7.880 2.128 ( -1.645 -3.710 -4.186) 5.830 2.271 ( -30.447 -10.866 15.885) 36.020 2.292 ( 1.820 -0.970 -3.074) 3.701 2.673 ( 1.254 2.813 3.495) 4.659 2.755 ( -2.440 -3.150 2.234) 4.568 3.078 ( -1.303 3.805 -2.813) 4.909 3.311 ( -7.068 6.220 1.475) 9.530 3.368 ( 1.328 4.932 -1.732) 5.394 3.482 ( -5.120 0.414 -1.245) 5.286 3.561 ( 4.101 -4.651 4.214) 7.497 3.681 ( -0.337 -3.862 0.389) 3.897 3.875 ( -9.565 -2.882 11.603) 15.311 4.267 ( -0.773 8.296 1.242) 8.424 4.440 ( -6.944 -7.097 1.196) 10.001 4.512 ( -4.101 -2.918 -5.927) 7.776 4.559 ( -4.463 -8.180 1.295) 9.408 4.975 ( -2.202 -2.178 -4.052) 5.099 5.174 ( -15.746 -2.285 -3.368) 16.263 5.341 ( 1.991 -2.931 -12.605) 13.093 5.911 ( 9.624 1.939 0.342) 9.823 6.127 ( -2.518 1.803 -7.112) 7.757 6.235 ( 3.910 1.609 -2.022) 4.687 6.381 ( 3.852 2.574 7.185) 8.549 6.535 ( 11.180 3.161 -8.632) 14.474 6.793 ( 7.216 7.494 3.462) 10.964 7.009 ( 5.551 -1.955 -0.362) 5.896 7.158 ( 1.943 6.621 2.858) 7.469 7.269 ( 2.590 -3.114 6.075) 7.301 7.431 ( 2.501 0.899 4.372) 5.117 7.563 ( -1.433 -4.078 -0.431) 4.344 7.969 ( 0.441 2.964 -6.846) 7.473 8.220 ( 0.677 3.277 0.699) 3.418 8.439 ( 1.900 6.069 0.529) 6.381 8.533 ( -4.529 2.570 0.843) 5.275 8.694 ( -0.103 -2.262 -10.990) 11.221 8.811 ( -2.079 -10.452 1.555) 10.769 9.074 ( -3.819 4.124 5.845) 8.109 9.249 ( -10.029 -3.793 6.464) 12.520 9.779 ( 3.647 1.851 -4.612) 6.164 9.825 ( 1.885 0.274 -5.563) 5.880 10.379 ( -3.140 -0.780 1.722) 3.665 10.844 ( 1.823 -0.064 0.380) 1.863 12.013 ( 2.815 4.747 -3.690) 6.638 12.221 ( 7.753 -4.705 1.863) 9.259 12.509 ( 0.728 1.834 -2.583) 3.251 12.958 ( -11.504 9.333 -12.949) 19.675 13.426 ( -2.249 9.354 5.536) 11.100 13.783 ( -2.656 1.288 0.111) 2.953 14.019 ( 4.526 -4.301 18.091) 19.139 14.033 ( -1.438 -2.295 -2.470) 3.665 14.456 ( -3.177 -0.802 -2.451) 4.092 14.497 ( 2.736 2.961 -4.049) 5.714 14.519 ( -1.169 -2.386 -5.032) 5.690 14.740 ( -3.279 -2.632 -2.578) 4.932 15.413 ( 0.386 7.389 5.659) 9.315 15.724 ( -4.135 2.511 6.823) 8.364 15.902 ( 3.994 -0.609 -7.807) 8.790 16.332 ( 3.028 -4.384 13.320) 14.346 16.536 ( 7.591 -8.710 4.314) 12.333 17.395 ( 11.047 -3.277 -12.334) 16.879 18.229 ( 21.754 0.648 22.805) 31.524 18.624 ( -1.326 1.549 -1.212) 2.372 18.930 ( 5.371 -1.831 4.497) 7.240 19.591 ( -2.699 15.167 -3.863) 15.882 19.625 ( -2.146 2.539 -0.637) 3.385 20.082 ( 4.170 -7.024 -3.046) 8.718 20.506 ( 0.717 2.612 4.696) 5.421 20.899 ( -3.687 1.082 -6.740) 7.758 21.385 ( -9.024 5.979 -6.107) 12.429 22.111 ( -13.723 -22.274 1.866) 26.229 23.298 ( 0.226 5.739 -2.370) 6.213 23.566 ( -0.291 -5.628 -7.455) 9.346 24.131 ( -1.329 1.053 4.887) 5.173 24.226 ( 1.694 -0.222 -1.449) 2.241 ======================= Grid point 242 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -23.366 0.000 2.496) 23.499 0.891 ( -14.640 0.000 20.206) 24.952 1.873 ( -25.366 0.000 16.307) 30.155 1.950 ( -11.847 0.000 4.514) 12.678 1.977 ( 8.116 -0.000 1.259) 8.213 2.057 ( -0.809 0.000 -7.023) 7.070 2.292 ( 1.878 -0.000 -1.565) 2.445 2.696 ( -1.427 0.000 1.234) 1.887 2.745 ( 2.174 -0.000 1.594) 2.696 3.062 ( -1.661 0.000 -4.561) 4.854 3.297 ( -7.510 0.000 -9.657) 12.234 3.304 ( -7.230 0.000 2.882) 7.784 3.495 ( -1.219 0.000 1.981) 2.326 3.606 ( 5.181 -0.000 2.611) 5.802 3.674 ( 4.879 -0.000 4.729) 6.794 3.809 ( -6.336 0.000 10.068) 11.896 4.264 ( -11.741 0.000 -2.394) 11.982 4.326 ( -3.931 0.000 2.224) 4.517 4.384 ( -2.846 0.000 -8.442) 8.909 4.482 ( -0.647 0.000 1.715) 1.833 4.937 ( 0.902 -0.000 -2.971) 3.105 4.948 ( -12.195 0.000 -1.877) 12.339 5.318 ( 7.062 -0.000 -9.433) 11.784 5.949 ( -5.258 0.000 -11.677) 12.807 6.115 ( 7.392 -0.000 2.089) 7.682 6.313 ( 6.102 -0.000 0.296) 6.109 6.455 ( -0.795 0.000 4.571) 4.639 6.622 ( 7.839 -0.000 -7.219) 10.657 6.967 ( 7.159 -0.000 2.815) 7.693 7.057 ( 4.936 -0.000 -1.729) 5.230 7.274 ( 0.048 -0.000 7.467) 7.467 7.311 ( 6.405 -0.000 3.723) 7.408 7.485 ( -0.726 0.000 3.781) 3.850 7.537 ( 3.300 -0.000 -2.077) 3.900 7.959 ( 3.120 -0.000 -8.451) 9.008 8.226 ( -2.954 0.000 0.839) 3.071 8.462 ( -7.676 0.000 -8.472) 11.433 8.484 ( -6.395 0.000 -0.600) 6.423 8.637 ( 4.355 -0.000 1.199) 4.517 8.780 ( 8.640 -0.000 0.677) 8.667 9.107 ( -2.299 0.000 3.991) 4.606 9.115 ( -11.797 0.000 6.345) 13.395 9.798 ( 0.548 -0.000 -6.389) 6.413 9.826 ( 3.931 -0.000 -3.621) 5.345 10.360 ( -0.868 0.000 3.454) 3.561 10.854 ( 0.480 -0.000 -2.080) 2.135 12.034 ( 1.633 -0.000 -7.131) 7.316 12.290 ( 5.709 -0.000 4.120) 7.040 12.548 ( 3.621 -0.000 -1.163) 3.804 12.727 ( -22.477 0.000 -17.214) 28.312 13.481 ( 2.426 -0.000 -7.408) 7.795 13.726 ( -5.215 0.000 -1.801) 5.517 13.975 ( -1.401 0.000 -2.735) 3.073 14.233 ( 9.852 -0.000 21.557) 23.702 14.395 ( -6.724 0.000 4.016) 7.832 14.447 ( -1.626 0.000 -5.881) 6.101 14.571 ( 5.371 -0.000 -3.054) 6.178 14.624 ( -4.789 0.000 -5.411) 7.226 15.520 ( 2.582 -0.000 5.637) 6.200 15.728 ( -4.718 0.000 5.349) 7.132 15.893 ( 2.737 -0.000 -8.679) 9.101 16.245 ( -1.689 0.000 -8.582) 8.746 16.797 ( 11.189 -0.000 24.081) 26.554 17.440 ( 10.873 -0.000 -10.910) 15.403 18.586 ( -3.294 0.000 -1.777) 3.742 18.777 ( 35.641 -0.000 24.703) 43.365 19.013 ( 6.781 -0.000 3.711) 7.730 19.517 ( -6.606 0.000 -8.681) 10.908 19.808 ( 0.062 -0.000 3.803) 3.803 20.013 ( 6.214 -0.000 -3.377) 7.072 20.609 ( 8.534 -0.000 3.336) 9.163 20.714 ( -13.113 0.000 -17.095) 21.545 21.279 ( -9.530 0.000 0.196) 9.532 21.744 ( -19.057 0.000 7.510) 20.484 23.364 ( 2.498 -0.000 -5.324) 5.881 23.382 ( -10.855 0.000 -5.888) 12.348 24.135 ( -2.045 0.000 4.256) 4.722 24.245 ( 1.532 -0.000 -1.262) 1.985 ======================= Grid point 243 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -11.485 0.000 1.979) 11.655 1.378 ( 11.485 -0.000 -1.979) 11.655 1.456 ( -8.782 0.000 -2.751) 9.203 1.456 ( 8.782 -0.000 2.751) 9.203 2.105 ( 5.540 -0.000 -9.495) 10.993 2.105 ( -5.540 0.000 9.495) 10.993 2.335 ( 7.361 -0.000 -12.100) 14.164 2.335 ( -7.361 0.000 12.100) 14.164 2.898 ( -1.635 0.000 -1.601) 2.289 2.898 ( 1.635 -0.000 1.601) 2.289 3.152 ( -6.923 0.000 0.701) 6.958 3.152 ( 6.923 -0.000 -0.701) 6.958 3.532 ( -3.208 0.000 -3.112) 4.470 3.532 ( 3.208 -0.000 3.112) 4.470 3.891 ( 0.627 -0.000 -0.393) 0.740 3.891 ( -0.627 0.000 0.393) 0.740 4.208 ( 7.462 -0.000 -5.151) 9.068 4.208 ( -7.462 0.000 5.151) 9.068 4.357 ( -3.052 0.000 -6.956) 7.596 4.357 ( 3.052 -0.000 6.956) 7.596 4.871 ( 3.088 -0.000 -4.366) 5.348 4.871 ( -3.088 0.000 4.366) 5.348 5.423 ( -13.115 0.000 -0.774) 13.138 5.423 ( 13.115 -0.000 0.774) 13.138 6.376 ( -3.759 0.000 -2.736) 4.650 6.376 ( 3.759 -0.000 2.736) 4.650 6.527 ( -5.179 0.000 -2.492) 5.747 6.527 ( 5.179 -0.000 2.492) 5.747 7.108 ( 0.880 -0.000 -0.315) 0.934 7.108 ( -0.880 0.000 0.315) 0.934 7.417 ( 2.184 -0.000 -2.766) 3.525 7.417 ( -2.184 0.000 2.766) 3.525 7.523 ( 2.261 -0.000 -4.266) 4.828 7.523 ( -2.261 0.000 4.266) 4.828 8.012 ( -14.472 0.000 1.142) 14.517 8.012 ( 14.472 -0.000 -1.142) 14.517 8.303 ( -5.937 0.000 -0.234) 5.942 8.303 ( 5.937 -0.000 0.234) 5.942 8.856 ( -3.447 0.000 -4.092) 5.350 8.856 ( 3.447 -0.000 4.092) 5.350 9.028 ( 6.102 -0.000 -3.903) 7.243 9.028 ( -6.102 0.000 3.903) 7.243 9.784 ( 3.560 -0.000 -5.155) 6.265 9.784 ( -3.560 0.000 5.155) 6.265 10.625 ( -3.983 0.000 -7.567) 8.551 10.625 ( 3.983 -0.000 7.567) 8.551 11.978 ( 16.259 -0.000 -5.516) 17.169 11.978 ( -16.259 0.000 5.516) 17.169 12.523 ( 0.157 -0.000 -4.832) 4.835 12.523 ( -0.157 0.000 4.832) 4.835 13.482 ( -7.251 0.000 0.071) 7.252 13.482 ( 7.251 -0.000 -0.071) 7.252 14.073 ( -6.294 0.000 -5.684) 8.481 14.073 ( 6.294 -0.000 5.684) 8.481 14.414 ( 4.035 -0.000 -6.026) 7.252 14.414 ( -4.035 0.000 6.026) 7.252 14.669 ( 0.432 -0.000 -0.530) 0.683 14.669 ( -0.432 0.000 0.530) 0.683 15.666 ( -0.561 0.000 -3.147) 3.197 15.666 ( 0.561 -0.000 3.147) 3.197 15.929 ( -2.368 0.000 -7.622) 7.982 15.929 ( 2.368 -0.000 7.622) 7.982 17.344 ( 5.797 -0.000 -11.247) 12.653 17.344 ( -5.797 0.000 11.247) 12.653 18.647 ( -13.637 0.000 -2.714) 13.905 18.647 ( 13.637 -0.000 2.714) 13.905 19.274 ( -1.777 0.000 -5.298) 5.588 19.274 ( 1.777 -0.000 5.298) 5.588 19.939 ( 0.718 -0.000 -6.961) 6.998 19.939 ( -0.718 0.000 6.961) 6.998 20.870 ( 3.173 -0.000 -1.080) 3.352 20.870 ( -3.173 0.000 1.080) 3.352 21.407 ( -19.774 0.000 2.211) 19.897 21.407 ( 19.774 -0.000 -2.211) 19.897 23.209 ( 4.296 -0.000 -6.856) 8.091 23.209 ( -4.296 0.000 6.856) 8.091 24.210 ( 1.071 -0.000 -2.747) 2.949 24.210 ( -1.071 0.000 2.747) 2.949 ======================= Grid point 245 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -14.400 -1.117 -20.456) 25.041 1.322 ( 1.346 -0.341 -15.270) 15.333 1.536 ( 5.031 2.704 13.474) 14.635 1.708 ( 1.202 -4.744 18.207) 18.853 2.143 ( 0.949 -3.182 -0.476) 3.355 2.178 ( 6.526 -4.098 -4.054) 8.707 2.396 ( 8.426 -3.054 -3.782) 9.728 2.476 ( 8.952 -7.637 4.609) 12.637 2.861 ( -3.414 -0.982 -3.327) 4.867 2.940 ( 0.712 -2.239 2.745) 3.613 3.082 ( -0.190 2.333 -0.699) 2.443 3.225 ( 7.400 3.011 0.251) 7.993 3.500 ( -1.464 0.126 -1.203) 1.899 3.679 ( 8.347 -7.692 2.995) 11.740 3.865 ( -5.358 -1.785 -1.915) 5.964 3.916 ( -0.667 -5.016 -0.362) 5.073 4.183 ( -3.566 -1.001 6.445) 7.433 4.269 ( 2.587 0.709 -10.029) 10.381 4.298 ( 8.210 -0.836 -2.458) 8.611 4.400 ( 1.570 3.780 6.799) 7.936 4.878 ( -1.109 -1.301 2.651) 3.154 4.928 ( 6.377 -3.866 -5.145) 9.061 5.296 ( -11.200 -3.485 3.034) 12.115 5.606 ( 12.196 -0.824 3.007) 12.588 6.253 ( -9.719 3.153 0.798) 10.249 6.362 ( 0.165 4.854 -1.163) 4.994 6.492 ( -4.310 -3.625 -0.598) 5.664 6.605 ( 2.683 -1.035 -0.682) 2.956 7.014 ( -4.931 7.181 -1.364) 8.817 7.064 ( -2.795 3.996 1.742) 5.178 7.345 ( -2.518 7.360 -2.838) 8.280 7.439 ( 2.110 0.079 2.206) 3.054 7.490 ( -1.255 0.931 -0.834) 1.771 7.592 ( 2.862 -4.700 -0.375) 5.515 7.810 ( -11.681 5.716 4.835) 13.875 8.118 ( 11.063 7.339 -0.555) 13.288 8.299 ( -3.233 -7.134 0.373) 7.841 8.418 ( 4.414 -4.001 0.354) 5.968 8.766 ( -9.424 -1.123 0.142) 9.491 8.875 ( -3.751 -3.673 2.462) 5.798 9.046 ( 2.624 -0.118 2.573) 3.677 9.123 ( 11.062 -1.310 -3.894) 11.800 9.754 ( -4.765 1.028 4.397) 6.565 9.786 ( 0.533 -0.233 -2.631) 2.694 10.534 ( -3.899 -0.947 -6.738) 7.842 10.712 ( 2.489 0.050 6.991) 7.421 11.857 ( -5.980 3.025 7.707) 10.213 12.160 ( 20.715 7.017 -0.369) 21.875 12.487 ( -3.224 -2.024 -4.496) 5.891 12.544 ( -2.404 -2.055 3.880) 5.005 13.420 ( -5.572 -2.446 1.191) 6.200 13.590 ( 6.661 -1.357 2.183) 7.140 13.987 ( -2.577 -0.562 -3.468) 4.358 14.182 ( 6.819 3.147 6.864) 10.174 14.374 ( -4.997 3.406 5.173) 7.958 14.422 ( 2.818 0.038 -3.663) 4.622 14.631 ( -1.163 2.160 -3.177) 4.014 14.692 ( 4.069 -2.175 -4.214) 6.249 15.652 ( -4.689 -3.742 -3.132) 6.767 15.714 ( -2.829 -2.459 6.398) 7.415 15.868 ( 1.233 0.958 -7.997) 8.148 16.057 ( 5.266 -6.436 9.341) 12.506 17.216 ( -6.546 8.560 -6.585) 12.628 17.342 ( -1.460 0.108 1.982) 2.464 18.519 ( -6.577 0.440 3.331) 7.386 18.847 ( 13.684 4.031 8.488) 16.599 19.203 ( -4.748 0.564 -6.343) 7.943 19.320 ( -4.539 -3.940 6.198) 8.634 19.812 ( -1.227 14.614 -10.701) 18.155 19.972 ( 4.518 4.212 8.881) 10.818 20.584 ( -17.413 4.485 3.068) 18.241 20.836 ( 1.082 2.928 -6.438) 7.155 21.342 ( -10.989 -10.015 1.019) 14.903 21.823 ( 22.561 -18.178 -6.856) 29.773 23.207 ( -0.269 0.506 1.418) 1.530 23.289 ( 5.969 -4.182 1.209) 7.388 24.210 ( -0.663 0.467 0.840) 1.167 24.216 ( 1.260 -0.726 -1.566) 2.137 ======================= Grid point 246 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 7.013 -9.262 -8.217) 14.230 1.273 ( 1.653 -1.810 -9.165) 9.487 1.633 ( 4.703 2.692 10.129) 11.488 1.874 ( -4.028 -8.350 13.671) 16.518 2.169 ( -1.367 -2.312 -4.038) 4.849 2.273 ( -0.086 -4.908 0.976) 5.005 2.523 ( 7.237 -1.481 -5.712) 9.337 2.663 ( 2.495 -2.142 4.320) 5.429 2.866 ( 4.638 -6.593 -3.817) 8.919 2.983 ( 0.351 -1.281 -0.684) 1.494 3.113 ( 9.003 -0.008 -2.925) 9.466 3.242 ( 2.087 4.716 2.786) 5.861 3.474 ( 0.096 0.168 -1.339) 1.353 3.772 ( -7.186 -1.248 -2.884) 7.843 3.852 ( -2.112 -5.390 -3.672) 6.855 4.035 ( 9.798 -4.136 -0.156) 10.636 4.190 ( 0.141 -2.065 -1.342) 2.467 4.334 ( 7.360 -1.158 2.021) 7.720 4.419 ( 1.133 0.691 9.707) 9.797 4.462 ( 13.369 -7.629 -1.985) 15.521 4.926 ( 3.467 -3.322 0.825) 4.872 5.050 ( 8.673 -4.160 -3.979) 10.409 5.269 ( -8.657 -6.603 5.865) 12.367 5.759 ( 8.012 0.771 2.950) 8.573 6.095 ( -9.678 2.263 1.162) 10.007 6.277 ( -1.405 4.359 -3.206) 5.591 6.455 ( -7.198 -0.885 0.598) 7.277 6.560 ( -6.871 3.741 -0.770) 7.861 6.816 ( -6.235 9.612 -2.286) 11.683 7.001 ( -0.590 4.087 1.852) 4.525 7.159 ( -4.200 7.888 -2.892) 9.393 7.450 ( 2.664 5.650 -1.917) 6.534 7.493 ( -0.687 -3.820 1.467) 4.149 7.661 ( -2.634 -4.004 -3.052) 5.682 7.698 ( 0.298 3.816 9.661) 10.392 8.103 ( 5.168 8.892 -0.580) 10.301 8.373 ( -1.595 -6.738 0.712) 6.961 8.475 ( 0.744 0.379 -1.475) 1.695 8.674 ( -8.798 -3.305 3.094) 9.894 8.953 ( -0.018 -8.564 1.152) 8.641 9.064 ( 2.297 3.011 -0.667) 3.845 9.284 ( 11.464 -3.811 -2.569) 12.351 9.704 ( -5.010 1.001 4.653) 6.910 9.774 ( -1.169 -0.429 -1.281) 1.787 10.484 ( -1.785 -2.251 -4.428) 5.278 10.769 ( 1.151 0.516 5.436) 5.580 11.825 ( 0.690 4.373 6.418) 7.797 12.259 ( 12.971 11.595 2.730) 17.611 12.456 ( -4.378 -4.882 -2.999) 7.211 12.584 ( 1.087 -2.565 2.480) 3.730 13.418 ( -3.106 -3.862 1.397) 5.149 13.683 ( 2.765 -0.271 3.494) 4.464 13.989 ( 2.056 -1.927 -1.531) 3.207 14.194 ( -0.407 8.885 4.295) 9.877 14.302 ( 0.524 2.409 3.084) 3.949 14.457 ( 3.855 -1.052 -1.340) 4.214 14.567 ( -1.093 1.363 -4.535) 4.859 14.774 ( 4.902 -4.265 -3.558) 7.408 15.559 ( -8.093 1.290 -6.090) 10.210 15.738 ( -5.140 -3.262 7.407) 9.588 15.838 ( 4.354 2.000 -7.084) 8.552 16.332 ( 4.762 -12.392 13.568) 18.982 16.939 ( -6.743 8.242 -13.691) 17.345 17.323 ( -2.946 0.607 2.566) 3.954 18.484 ( -1.809 2.594 5.858) 6.657 18.883 ( -10.126 5.921 -2.746) 12.047 19.012 ( 5.415 16.296 -6.900) 18.506 19.325 ( -11.385 -6.625 4.212) 13.829 19.537 ( 2.411 8.910 -6.435) 11.253 20.053 ( 6.303 2.866 8.272) 10.787 20.528 ( -7.098 -6.848 11.548) 15.187 20.764 ( 2.627 2.697 -10.121) 10.798 21.344 ( -8.596 -7.547 1.267) 11.509 22.276 ( 16.387 -17.385 -4.411) 24.295 23.208 ( 0.151 -0.172 0.602) 0.644 23.434 ( 5.108 -3.715 3.389) 7.168 24.178 ( -1.980 2.522 0.226) 3.214 24.243 ( 2.069 -1.309 -1.777) 3.025 ======================= Grid point 247 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 8.733 -8.101 0.776) 11.937 1.341 ( 6.111 -7.664 -1.554) 9.924 1.710 ( 3.837 1.516 6.151) 7.406 1.913 ( -11.071 -2.847 -0.455) 11.440 2.160 ( 2.573 -0.131 1.090) 2.797 2.319 ( -4.420 -3.660 2.020) 6.084 2.493 ( -1.046 3.744 0.403) 3.908 2.753 ( 1.574 -2.842 4.075) 5.211 2.975 ( 0.198 -0.883 -7.637) 7.690 3.025 ( 4.224 -8.142 -3.294) 9.746 3.177 ( 5.549 6.105 2.168) 8.530 3.235 ( 2.242 -0.015 -0.010) 2.243 3.525 ( 4.506 -3.088 0.761) 5.515 3.674 ( -4.668 1.456 -2.268) 5.390 3.840 ( -0.645 -4.324 -7.359) 8.560 4.137 ( 5.113 1.638 -1.432) 5.556 4.239 ( 1.213 -4.352 -3.324) 5.609 4.367 ( -0.593 4.374 7.673) 8.852 4.610 ( 10.360 -10.008 1.662) 14.500 4.778 ( 14.781 -8.404 0.365) 17.007 5.081 ( 8.358 -7.274 0.862) 11.113 5.203 ( 9.664 -1.928 3.004) 10.302 5.307 ( -4.362 -6.966 4.228) 9.243 5.778 ( -5.242 2.263 1.396) 5.878 6.000 ( -0.961 1.963 0.585) 2.263 6.180 ( -3.042 3.207 -2.895) 5.285 6.338 ( -11.129 2.232 2.562) 11.637 6.381 ( -7.835 4.354 -2.663) 9.351 6.589 ( -6.525 9.771 -2.274) 11.968 6.881 ( -1.822 9.466 -1.607) 9.773 7.115 ( -0.127 -3.217 1.530) 3.565 7.381 ( 0.745 4.678 -2.159) 5.206 7.541 ( 0.671 -2.560 0.086) 2.648 7.651 ( -0.129 2.440 2.432) 3.447 7.735 ( 0.787 0.118 3.420) 3.512 8.040 ( 1.286 4.905 -0.529) 5.099 8.391 ( -2.905 2.541 -1.960) 4.328 8.450 ( -1.326 -3.333 -0.205) 3.593 8.703 ( -3.054 -6.761 4.717) 8.792 9.002 ( 0.666 3.951 -3.430) 5.275 9.094 ( 2.395 -5.785 0.892) 6.324 9.456 ( 9.031 -4.200 -2.864) 10.363 9.665 ( -4.118 0.537 5.153) 6.618 9.755 ( -1.536 -0.308 -0.745) 1.735 10.488 ( 0.104 -2.339 -2.052) 3.113 10.796 ( 0.321 0.713 3.318) 3.409 11.815 ( 1.807 4.566 3.643) 6.115 12.240 ( 3.791 7.505 1.722) 8.582 12.478 ( -1.997 -5.776 -0.500) 6.132 12.654 ( 4.119 -0.325 1.786) 4.501 13.440 ( -1.938 -2.080 1.115) 3.054 13.716 ( -0.042 -0.622 2.845) 2.912 14.001 ( -0.166 6.720 -0.201) 6.725 14.088 ( 0.813 1.334 -2.006) 2.543 14.362 ( 3.785 -1.804 4.186) 5.925 14.508 ( 4.848 3.001 -0.679) 5.742 14.527 ( -2.496 -3.640 -0.459) 4.437 14.851 ( 3.217 -2.479 -4.531) 6.085 15.379 ( -7.055 4.445 -5.640) 10.067 15.745 ( -4.947 -1.236 5.089) 7.204 15.849 ( 4.163 -0.921 -4.128) 5.935 16.537 ( -3.178 2.980 11.290) 12.101 16.808 ( 3.449 -11.744 -11.276) 16.642 17.294 ( -2.623 0.553 2.559) 3.706 18.427 ( -9.209 6.907 -3.615) 12.066 18.472 ( -7.890 10.712 -8.968) 16.045 18.942 ( 8.336 10.415 0.931) 13.373 19.291 ( -7.049 -4.534 0.292) 8.387 19.529 ( 1.758 -0.272 3.000) 3.488 20.134 ( 3.794 1.012 5.054) 6.400 20.574 ( -6.834 -3.448 4.377) 8.817 20.754 ( 5.490 0.013 -3.022) 6.267 21.343 ( -4.989 -4.195 1.288) 6.644 22.607 ( 9.617 -10.115 -1.928) 14.090 23.235 ( 0.522 -2.963 1.057) 3.189 23.539 ( 2.735 -1.739 2.842) 4.311 24.100 ( -2.601 4.000 -0.955) 4.866 24.273 ( 1.639 -0.917 -1.155) 2.205 ======================= Grid point 248 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 3.242 -7.362 1.491) 8.182 1.507 ( 3.628 -1.986 2.333) 4.749 1.737 ( -3.122 2.356 1.389) 4.151 1.777 ( -0.944 0.960 -4.832) 5.016 2.202 ( -0.262 -0.917 2.327) 2.515 2.292 ( -1.305 0.839 0.358) 1.592 2.484 ( -0.226 -0.763 1.542) 1.735 2.803 ( -0.742 -1.185 2.244) 2.644 2.916 ( -1.025 1.337 -3.742) 4.104 3.128 ( 1.122 -4.708 -2.720) 5.552 3.181 ( 2.313 2.799 2.021) 4.155 3.259 ( 1.450 0.204 -0.056) 1.466 3.573 ( -0.298 0.305 -0.826) 0.930 3.618 ( -0.720 0.996 0.959) 1.559 3.903 ( 3.605 -4.879 -4.185) 7.370 4.159 ( 4.299 1.038 -3.482) 5.629 4.254 ( -5.086 -1.140 4.871) 7.134 4.343 ( 1.033 2.429 0.421) 2.673 4.889 ( 10.659 -9.132 -3.527) 14.473 4.981 ( 5.114 -5.259 0.730) 7.372 5.154 ( -4.418 5.010 2.489) 7.128 5.393 ( 3.402 -6.440 3.167) 7.943 5.442 ( 15.236 -0.269 2.749) 15.485 5.633 ( -14.356 -1.035 -0.514) 14.402 5.986 ( 2.072 2.657 0.045) 3.370 6.081 ( -3.482 2.587 -1.389) 4.555 6.215 ( -4.781 0.839 1.960) 5.235 6.250 ( -4.345 1.272 -2.739) 5.292 6.415 ( -2.513 4.521 -0.695) 5.219 6.760 ( -0.864 4.085 -0.785) 4.248 7.166 ( -0.410 -2.329 1.135) 2.623 7.344 ( 1.272 1.422 -1.059) 2.182 7.574 ( 1.695 -0.741 -1.766) 2.557 7.609 ( -1.974 2.593 1.930) 3.788 7.757 ( 0.334 0.384 2.269) 2.326 8.015 ( 0.462 0.455 -0.654) 0.921 8.310 ( -1.703 1.860 -1.038) 2.726 8.476 ( -0.527 -1.533 0.064) 1.623 8.789 ( -1.396 -5.243 3.951) 6.712 8.923 ( 0.995 4.682 -3.780) 6.099 9.186 ( 1.190 -2.835 0.472) 3.111 9.552 ( 2.410 -1.001 -1.600) 3.061 9.664 ( 0.285 -0.669 2.415) 2.522 9.734 ( -1.584 0.079 -0.127) 1.591 10.507 ( 0.298 -0.930 -0.549) 1.120 10.804 ( -0.000 0.346 1.084) 1.137 11.798 ( 0.611 2.047 1.093) 2.400 12.206 ( 0.640 2.348 0.473) 2.479 12.529 ( -0.240 -2.981 0.280) 3.004 12.702 ( 2.019 0.370 0.720) 2.176 13.432 ( -1.167 0.236 0.375) 1.248 13.761 ( 1.084 -3.432 1.183) 3.789 13.873 ( -2.336 6.295 -0.600) 6.741 14.107 ( 1.879 -0.129 -1.099) 2.180 14.440 ( -0.430 -3.758 0.251) 3.791 14.489 ( 2.663 3.895 -0.924) 4.808 14.604 ( 0.741 -3.642 5.168) 6.365 14.851 ( 0.452 0.829 -4.828) 4.919 15.241 ( -2.801 2.216 -2.055) 4.121 15.726 ( -1.474 0.218 1.268) 1.957 15.890 ( 1.228 -1.341 -0.710) 1.952 16.457 ( -2.052 2.951 0.514) 3.631 17.026 ( 4.073 -10.105 0.341) 10.900 17.270 ( -1.589 1.533 1.800) 2.849 18.093 ( -6.981 5.691 -8.680) 12.508 18.378 ( -0.521 4.079 1.584) 4.406 18.934 ( 3.365 3.205 0.476) 4.671 19.273 ( -2.646 -1.839 -0.142) 3.225 19.568 ( 0.457 -0.533 1.847) 1.976 20.178 ( 1.179 0.160 1.674) 2.054 20.545 ( -2.317 -0.664 -0.421) 2.447 20.805 ( 1.814 -0.413 0.509) 1.929 21.346 ( -1.520 -1.365 0.653) 2.145 22.755 ( 2.889 -2.458 -0.697) 3.857 23.298 ( 0.709 -2.809 0.824) 3.012 23.587 ( 0.827 -0.418 1.054) 1.404 24.020 ( -1.395 2.331 -0.735) 2.814 24.291 ( 0.608 -0.295 -0.409) 0.790 ======================= Grid point 254 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 5.865 -0.000 -12.835) 14.111 1.299 ( 10.523 -0.000 -20.305) 22.870 1.706 ( 4.923 -0.000 13.694) 14.552 1.728 ( -8.072 0.000 20.185) 21.739 2.109 ( 0.162 -0.000 -5.659) 5.661 2.200 ( 1.824 -0.000 0.972) 2.067 2.477 ( 18.624 -0.000 -21.162) 28.190 2.634 ( 11.563 -0.000 9.045) 14.680 2.796 ( -1.913 0.000 -3.529) 4.014 2.967 ( 1.726 -0.000 4.442) 4.766 3.134 ( 3.239 -0.000 5.876) 6.710 3.322 ( 5.269 -0.000 -0.160) 5.271 3.565 ( 8.361 -0.000 -3.943) 9.244 3.647 ( -3.465 0.000 -0.994) 3.605 3.768 ( -4.459 0.000 -4.500) 6.335 3.920 ( 7.783 -0.000 0.669) 7.812 4.202 ( -1.430 0.000 10.027) 10.128 4.277 ( 7.350 -0.000 -4.720) 8.735 4.378 ( 9.111 -0.000 -4.249) 10.053 4.479 ( 1.857 -0.000 2.923) 3.463 4.885 ( 1.089 -0.000 0.984) 1.468 4.956 ( 8.233 -0.000 -3.436) 8.921 5.169 ( -8.687 0.000 5.567) 10.318 5.768 ( 8.867 -0.000 5.788) 10.589 6.138 ( -10.832 0.000 0.116) 10.832 6.382 ( -2.927 0.000 -6.478) 7.109 6.405 ( -4.712 0.000 6.551) 8.069 6.602 ( -2.142 0.000 -2.542) 3.324 6.996 ( -6.267 0.000 -0.999) 6.347 7.022 ( -6.391 0.000 2.145) 6.741 7.370 ( -4.283 0.000 -1.933) 4.699 7.403 ( -0.156 0.000 -4.237) 4.240 7.494 ( -3.777 0.000 2.257) 4.400 7.556 ( 2.582 -0.000 -3.984) 4.747 7.796 ( -3.859 0.000 7.651) 8.569 8.213 ( 0.840 -0.000 1.834) 2.017 8.324 ( 5.910 -0.000 4.509) 7.434 8.472 ( 5.432 -0.000 0.689) 5.476 8.651 ( -6.298 0.000 -0.024) 6.298 8.782 ( -5.695 0.000 0.549) 5.722 9.109 ( 2.663 -0.000 3.627) 4.499 9.230 ( 12.264 -0.000 -5.582) 13.474 9.737 ( -4.544 0.000 5.549) 7.172 9.757 ( -1.791 0.000 -1.757) 2.509 10.448 ( -2.139 0.000 -5.304) 5.719 10.776 ( 1.270 -0.000 5.752) 5.891 11.892 ( 0.249 -0.000 7.567) 7.571 12.382 ( -6.389 0.000 -4.765) 7.970 12.496 ( -5.631 0.000 4.107) 6.969 12.510 ( 20.978 -0.000 6.264) 21.893 13.356 ( -4.816 0.000 4.912) 6.879 13.687 ( 7.706 -0.000 1.536) 7.858 13.938 ( -2.153 0.000 0.029) 2.153 14.329 ( 3.385 -0.000 6.432) 7.268 14.393 ( 0.029 -0.000 3.456) 3.456 14.403 ( -2.730 0.000 0.091) 2.732 14.632 ( 1.325 -0.000 -6.955) 7.080 14.667 ( 4.704 -0.000 -8.859) 10.031 15.579 ( -3.463 0.000 -0.856) 3.568 15.707 ( -2.803 0.000 9.078) 9.501 15.861 ( 3.504 -0.000 -7.137) 7.951 16.094 ( 1.495 -0.000 7.402) 7.552 17.201 ( -3.260 0.000 -18.231) 18.520 17.225 ( -12.851 0.000 10.670) 16.703 18.513 ( -0.021 0.000 6.017) 6.017 19.004 ( -11.614 0.000 -1.334) 11.690 19.109 ( -4.797 0.000 -6.081) 7.745 19.262 ( 1.185 -0.000 14.287) 14.336 19.896 ( -0.968 0.000 -5.015) 5.107 19.993 ( -9.928 0.000 1.676) 10.069 20.498 ( 3.386 -0.000 4.414) 5.563 20.684 ( -6.899 0.000 -4.161) 8.057 21.340 ( 6.173 -0.000 -3.990) 7.351 21.894 ( 19.163 -0.000 -7.483) 20.572 23.256 ( -0.023 0.000 5.317) 5.318 23.338 ( 8.110 -0.000 -0.372) 8.118 24.212 ( -1.692 0.000 2.120) 2.713 24.215 ( 2.456 -0.000 -3.634) 4.386 ======================= Grid point 255 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 21.393 -5.098 -1.300) 22.030 1.304 ( 12.123 3.302 -15.821) 20.204 1.764 ( -3.525 -0.306 16.755) 17.125 1.831 ( 1.302 -0.039 6.986) 7.106 2.103 ( 1.011 -3.743 -4.306) 5.795 2.215 ( -3.600 -2.367 3.930) 5.832 2.597 ( 13.613 0.554 -12.613) 18.566 2.744 ( 6.214 1.116 -3.015) 6.996 2.810 ( 3.640 -3.841 -3.220) 6.195 3.007 ( 1.727 1.646 3.288) 4.062 3.238 ( 6.887 0.538 5.922) 9.099 3.348 ( 3.737 4.693 0.878) 6.063 3.515 ( -0.215 3.530 -2.880) 4.560 3.687 ( 3.184 -1.821 -6.354) 7.336 3.730 ( 0.414 -3.329 -5.231) 6.214 4.081 ( 10.782 -7.268 -7.199) 14.863 4.210 ( -1.576 4.010 7.193) 8.385 4.416 ( 6.972 -3.489 2.728) 8.260 4.480 ( 3.831 2.051 0.555) 4.380 4.546 ( 12.817 -5.786 -0.431) 14.069 4.929 ( 3.472 -3.050 -0.284) 4.630 5.096 ( 7.036 -4.412 4.767) 9.576 5.157 ( -0.255 -3.209 4.420) 5.468 5.845 ( -3.153 1.549 4.667) 5.841 6.041 ( -1.694 0.975 2.132) 2.892 6.279 ( -3.527 2.861 -4.369) 6.302 6.366 ( -9.284 0.477 6.037) 11.084 6.496 ( -8.238 2.819 -3.280) 9.304 6.836 ( -7.165 8.026 -1.488) 10.862 6.993 ( -3.436 -2.597 1.165) 4.462 7.218 ( -2.899 9.817 -3.195) 10.723 7.374 ( -3.547 -2.844 -3.050) 5.475 7.521 ( -2.715 -3.427 -4.983) 6.629 7.560 ( 3.168 -2.687 -0.273) 4.163 7.808 ( 0.136 2.513 8.874) 9.224 8.221 ( -0.390 5.054 0.380) 5.083 8.368 ( 1.264 1.898 6.403) 6.798 8.531 ( -2.978 -6.226 4.056) 8.005 8.572 ( 1.844 8.010 -1.102) 8.293 8.834 ( 1.412 -10.132 -0.632) 10.250 9.132 ( 1.759 2.537 0.567) 3.139 9.362 ( 11.402 -2.127 -5.204) 12.713 9.695 ( -3.416 1.834 3.680) 5.346 9.745 ( -2.206 -1.154 2.058) 3.230 10.426 ( 0.822 -1.628 -3.033) 3.539 10.812 ( 0.132 0.355 3.715) 3.734 11.929 ( 1.469 3.163 5.032) 6.123 12.280 ( -8.731 -2.998 -3.588) 9.904 12.440 ( -3.257 1.569 4.237) 5.570 12.750 ( 14.524 5.200 8.048) 17.400 13.362 ( -2.840 -2.548 6.465) 7.507 13.760 ( 3.937 3.002 1.724) 5.243 13.962 ( 0.227 -4.739 2.433) 5.332 14.294 ( -3.779 7.591 -0.950) 8.533 14.349 ( -1.399 0.505 2.892) 3.252 14.437 ( 0.608 -1.640 -1.794) 2.506 14.597 ( 5.162 2.892 -5.254) 7.913 14.739 ( 4.513 -5.670 -4.838) 8.713 15.495 ( -3.011 5.092 -2.751) 6.524 15.724 ( -4.331 0.293 9.602) 10.538 15.862 ( 3.858 0.619 -6.853) 7.888 16.246 ( 0.325 -14.166 8.625) 16.588 16.898 ( -7.796 11.038 -15.038) 20.217 17.208 ( -10.062 -7.090 2.946) 12.657 18.550 ( -1.169 2.558 4.564) 5.360 18.629 ( -24.643 1.860 -14.118) 28.462 19.036 ( -4.734 -2.562 -6.125) 8.154 19.408 ( 8.034 5.959 13.661) 16.932 19.656 ( -2.306 13.307 -3.058) 13.847 20.027 ( -5.798 -9.811 2.252) 11.617 20.553 ( 1.532 3.652 3.474) 5.268 20.749 ( 8.285 -4.123 2.517) 9.590 21.341 ( 4.788 5.148 -0.986) 7.099 22.196 ( 14.393 -16.224 -5.555) 22.389 23.248 ( -0.401 2.989 2.488) 3.910 23.463 ( 4.378 -3.480 2.832) 6.269 24.182 ( -2.781 1.831 1.065) 3.496 24.236 ( 2.668 -1.370 -3.510) 4.617 ======================= Grid point 256 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 12.253 0.647 -3.630) 12.796 1.414 ( 17.928 -3.212 -2.836) 18.433 1.790 ( -3.725 -0.099 2.070) 4.263 1.850 ( 3.808 4.617 5.888) 8.396 2.164 ( -1.540 -3.602 1.321) 4.134 2.248 ( -0.339 -3.655 4.628) 5.907 2.586 ( 2.866 7.228 -0.796) 7.817 2.805 ( 6.103 0.058 -4.823) 7.779 2.889 ( 2.072 -4.647 -5.002) 7.135 3.026 ( 4.930 1.808 0.052) 5.252 3.276 ( 0.813 3.010 0.189) 3.123 3.335 ( 3.819 4.788 0.776) 6.173 3.560 ( 5.104 -2.897 1.764) 6.128 3.669 ( 2.587 3.374 -4.149) 5.941 3.783 ( 8.262 -2.568 -7.927) 11.734 4.152 ( -1.982 0.085 -0.957) 2.203 4.254 ( 10.700 -1.361 -9.182) 14.165 4.456 ( -2.014 4.559 5.820) 7.662 4.576 ( 4.739 -9.375 1.793) 10.657 4.812 ( 9.285 -8.810 -3.466) 13.261 5.054 ( 2.730 -7.043 0.775) 7.593 5.217 ( 1.648 -5.555 8.028) 9.901 5.383 ( 17.790 -3.857 6.178) 19.223 5.724 ( -10.316 4.297 1.915) 11.338 6.061 ( 0.994 1.959 2.427) 3.273 6.179 ( -3.470 3.823 0.311) 5.172 6.237 ( -10.580 1.390 3.884) 11.356 6.330 ( -6.456 4.208 -2.933) 8.245 6.614 ( -7.413 9.314 -1.756) 12.032 6.988 ( -1.233 4.037 0.490) 4.250 7.061 ( -1.273 2.947 -2.975) 4.376 7.346 ( -3.005 -2.206 -3.074) 4.832 7.504 ( -0.960 -4.103 -6.171) 7.473 7.642 ( 2.325 -1.969 0.386) 3.071 7.827 ( 0.353 3.386 7.677) 8.398 8.088 ( -5.004 6.503 0.646) 8.231 8.383 ( -1.919 1.461 -0.813) 2.545 8.505 ( 3.547 4.533 4.759) 7.468 8.630 ( -0.076 -5.109 4.858) 7.050 8.982 ( 2.885 -6.217 -0.587) 6.879 9.113 ( 2.849 2.814 -1.196) 4.180 9.493 ( 8.411 -2.917 -5.110) 10.265 9.663 ( -2.255 0.900 3.708) 4.432 9.748 ( -0.796 0.195 2.777) 2.895 10.461 ( 2.497 -1.967 -1.698) 3.604 10.817 ( -0.864 0.531 1.697) 1.977 11.889 ( -2.300 4.284 1.040) 4.972 12.190 ( -9.882 -3.363 -1.682) 10.573 12.460 ( 2.740 -1.115 4.224) 5.157 12.850 ( 9.408 8.491 6.689) 14.330 13.406 ( -2.054 -2.078 5.159) 5.929 13.749 ( 0.337 2.749 2.317) 3.611 14.051 ( 0.639 -4.122 1.249) 4.355 14.113 ( -2.236 10.011 -4.827) 11.336 14.337 ( -3.155 -2.587 -1.601) 4.383 14.483 ( 0.947 -4.018 4.584) 6.168 14.612 ( 6.180 3.202 -2.687) 7.461 14.822 ( 2.586 -3.274 -4.126) 5.868 15.355 ( -2.427 6.613 -3.845) 8.026 15.717 ( -5.691 -0.075 9.908) 11.426 15.863 ( 4.130 -0.065 -6.923) 8.062 16.528 ( -3.308 -13.707 12.162) 18.621 16.622 ( -0.158 -0.498 -19.387) 19.394 17.198 ( -8.977 -6.683 3.760) 11.807 18.192 ( -19.232 1.958 -14.199) 23.986 18.540 ( -3.038 4.327 3.042) 6.099 18.966 ( -3.135 0.233 -6.347) 7.083 19.417 ( 7.477 11.862 3.078) 14.356 19.576 ( 0.573 1.069 5.387) 5.522 20.086 ( -4.917 -6.981 2.044) 8.780 20.546 ( 1.566 1.326 0.135) 2.057 20.874 ( 8.884 3.740 0.805) 9.673 21.354 ( 4.282 2.905 3.919) 6.491 22.534 ( 8.593 -14.613 -2.712) 17.168 23.224 ( -1.429 -0.049 1.910) 2.386 23.551 ( 0.916 -2.335 2.457) 3.511 24.111 ( -3.368 3.384 0.433) 4.794 24.265 ( 2.186 -1.444 -3.590) 4.444 ======================= Grid point 257 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 8.304 -2.106 -0.661) 8.592 1.624 ( 11.616 2.842 0.078) 11.959 1.762 ( 4.063 3.543 -2.834) 6.090 1.848 ( 2.249 5.827 4.235) 7.546 2.154 ( -4.368 -1.489 4.221) 6.254 2.348 ( 5.457 -1.465 -0.423) 5.666 2.521 ( 2.106 5.001 -2.319) 5.901 2.844 ( 5.406 1.230 -1.116) 5.656 2.908 ( 0.320 -0.504 -0.620) 0.861 3.075 ( 3.710 -0.404 -3.074) 4.835 3.240 ( 0.383 2.557 -0.662) 2.669 3.337 ( 2.759 3.538 1.979) 4.904 3.602 ( 2.892 2.289 -1.371) 3.935 3.635 ( 0.331 2.546 -0.348) 2.591 3.901 ( 7.876 -2.262 -5.186) 9.698 4.157 ( 1.306 -4.001 -2.812) 5.062 4.266 ( 2.137 6.198 -2.066) 6.874 4.411 ( 1.770 3.576 -0.875) 4.085 4.802 ( 3.917 -15.075 -1.897) 15.690 4.930 ( -2.961 -4.327 -0.171) 5.246 5.098 ( -5.336 -0.919 1.154) 5.536 5.389 ( 2.675 -3.811 3.740) 5.972 5.546 ( -4.947 5.964 0.416) 7.760 5.688 ( 16.567 -1.238 6.990) 18.024 5.994 ( -4.545 2.798 -1.216) 5.473 6.071 ( -5.223 3.040 3.416) 6.942 6.207 ( -0.511 0.580 -2.232) 2.362 6.241 ( 2.557 0.131 3.962) 4.717 6.421 ( -5.341 5.046 -0.454) 7.362 6.864 ( 1.164 10.366 0.408) 10.440 7.068 ( -2.150 -6.240 -4.446) 7.958 7.336 ( -1.220 -1.930 -0.552) 2.349 7.509 ( -2.051 -4.619 -7.277) 8.860 7.649 ( 0.235 3.926 1.812) 4.330 7.804 ( -0.812 3.799 2.480) 4.609 8.005 ( -3.025 0.063 3.283) 4.464 8.320 ( -0.392 1.890 -1.793) 2.634 8.546 ( 4.972 3.255 3.717) 7.009 8.722 ( -1.893 -5.321 6.411) 8.544 9.008 ( 3.922 5.580 -1.740) 7.039 9.158 ( 1.923 -3.321 -0.323) 3.852 9.564 ( 2.838 -0.523 -2.981) 4.148 9.664 ( 0.109 -0.548 0.768) 0.950 9.754 ( 1.068 1.352 2.635) 3.149 10.502 ( 2.252 -0.861 -1.354) 2.765 10.803 ( -1.305 0.224 0.195) 1.338 11.799 ( -4.453 1.932 -1.377) 5.045 12.107 ( -9.858 -4.398 -1.344) 10.878 12.554 ( 5.661 -0.088 3.187) 6.498 12.855 ( 4.834 9.431 4.815) 11.640 13.414 ( -2.513 -0.761 2.461) 3.599 13.761 ( 2.267 -0.666 1.373) 2.733 13.944 ( -0.145 8.346 -4.346) 9.411 14.077 ( -3.917 -2.251 0.714) 4.573 14.340 ( -3.559 -4.593 0.897) 5.879 14.593 ( 1.128 -3.139 3.855) 5.097 14.613 ( 4.148 4.696 -0.233) 6.270 14.833 ( 0.867 -0.562 -4.912) 5.019 15.252 ( 0.629 3.509 -1.333) 3.806 15.708 ( -4.904 -0.807 7.326) 8.853 15.886 ( 3.415 -1.240 -4.882) 6.086 16.442 ( -0.902 1.358 -9.110) 9.255 16.865 ( 0.871 -18.591 1.712) 18.690 17.197 ( -8.774 -5.779 3.574) 11.097 17.959 ( -8.178 -3.022 -3.259) 9.308 18.425 ( -5.187 4.685 -0.835) 7.039 18.881 ( -2.591 1.144 -5.609) 6.284 19.408 ( 7.676 6.784 2.124) 10.462 19.599 ( 0.642 1.514 2.720) 3.178 20.102 ( -5.604 -4.796 -1.212) 7.475 20.568 ( 4.052 1.368 1.733) 4.615 20.899 ( 6.376 5.412 -2.688) 8.785 21.407 ( 6.198 3.466 4.847) 8.598 22.721 ( 1.720 -5.550 -1.338) 5.963 23.251 ( -1.544 -4.531 1.828) 5.124 23.581 ( -1.058 -1.076 0.796) 1.706 24.033 ( -2.162 2.816 0.946) 3.674 24.281 ( 1.071 -0.968 -3.428) 3.719 ======================= Grid point 258 (125/140) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 2.084 6.352 -2.540) 7.151 1.569 ( 2.569 10.252 -4.595) 11.525 1.778 ( 1.941 6.075 0.511) 6.398 1.889 ( 9.549 -0.853 8.406) 12.750 2.164 ( -1.675 -1.002 1.560) 2.499 2.378 ( 7.704 3.488 -6.162) 10.464 2.511 ( 3.241 1.268 -1.888) 3.959 2.874 ( 6.294 4.960 -3.002) 8.557 2.945 ( 0.991 -1.760 5.050) 5.439 3.073 ( -0.644 -0.302 -3.699) 3.767 3.204 ( -0.901 3.190 0.562) 3.362 3.307 ( -0.149 5.431 2.017) 5.795 3.595 ( -0.438 2.670 -1.631) 3.159 3.637 ( 6.152 -0.107 0.534) 6.176 3.935 ( -1.087 -0.390 -1.165) 1.641 4.160 ( -0.722 5.412 1.023) 5.555 4.240 ( 2.699 -3.055 -3.710) 5.512 4.382 ( 4.075 4.525 -4.220) 7.409 4.830 ( -14.400 4.196 3.561) 15.416 4.939 ( -8.237 2.078 -1.978) 8.722 5.011 ( -5.446 -9.241 -0.736) 10.751 5.329 ( -8.656 5.583 0.642) 10.321 5.470 ( 3.386 6.566 -1.986) 7.650 5.853 ( 1.650 7.193 -0.359) 7.388 5.930 ( 5.808 -3.475 3.977) 7.850 6.106 ( 5.497 -3.075 2.345) 6.720 6.245 ( 5.113 -3.658 -1.086) 6.380 6.345 ( 6.541 0.495 5.394) 8.493 6.367 ( -0.276 -4.771 -0.024) 4.779 6.795 ( 2.962 4.081 1.226) 5.190 7.095 ( -1.603 -6.230 -5.961) 8.770 7.321 ( -4.022 1.336 1.615) 4.536 7.493 ( -2.676 -5.494 -5.568) 8.267 7.610 ( 0.270 1.534 -2.155) 2.659 7.771 ( -0.281 2.429 2.970) 3.847 7.995 ( -2.464 0.012 1.786) 3.043 8.334 ( 3.721 -1.360 0.249) 3.970 8.572 ( 3.256 3.725 2.670) 5.622 8.798 ( -0.410 -2.741 4.749) 5.499 8.968 ( 4.563 6.345 -0.396) 7.825 9.184 ( -0.993 0.102 -1.029) 1.433 9.542 ( -4.133 2.045 0.580) 4.648 9.673 ( 3.789 0.866 -3.635) 5.322 9.775 ( 1.912 1.008 2.327) 3.176 10.523 ( 1.696 0.391 -0.545) 1.824 10.783 ( -1.304 -0.178 -1.336) 1.876 11.727 ( -4.272 -1.596 -2.940) 5.426 12.042 ( -10.915 -6.514 -1.481) 12.797 12.612 ( 5.075 3.868 1.178) 6.488 12.792 ( 1.267 9.162 3.428) 9.864 13.429 ( 0.732 -2.308 1.100) 2.660 13.795 ( -0.127 2.870 0.544) 2.924 13.871 ( 5.130 0.467 -3.414) 6.180 14.046 ( -7.043 -2.675 3.603) 8.352 14.355 ( -4.933 -3.602 0.706) 6.149 14.517 ( -3.375 5.628 -4.430) 7.918 14.637 ( 3.198 2.701 -1.229) 4.362 14.859 ( -0.042 -1.748 3.991) 4.357 15.280 ( 5.712 -1.774 1.494) 6.165 15.715 ( -3.487 -2.215 6.276) 7.514 15.905 ( 3.202 0.846 -4.030) 5.216 16.415 ( 2.605 -3.362 -8.793) 9.768 17.007 ( -4.972 -3.239 0.120) 5.935 17.187 ( -6.116 -7.130 1.377) 9.494 18.062 ( 1.249 -14.221 11.432) 18.289 18.328 ( -2.569 -1.269 -4.311) 5.176 18.813 ( -1.415 0.567 -3.961) 4.244 19.433 ( 5.486 4.983 3.063) 8.019 19.580 ( 0.703 2.732 -2.302) 3.641 20.054 ( -7.517 -3.773 -5.868) 10.255 20.628 ( 4.841 1.427 4.649) 6.861 20.866 ( 4.476 6.552 -4.766) 9.256 21.476 ( 10.303 5.480 3.777) 12.266 22.724 ( -5.106 0.559 -0.071) 5.137 23.288 ( -1.744 -1.894 0.719) 2.673 23.562 ( -2.592 0.250 -1.348) 2.932 24.019 ( 0.610 -1.026 2.379) 2.662 24.276 ( -0.295 -0.572 -2.808) 2.881 ======================= Grid point 259 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -3.176 14.236 -0.701) 14.603 1.435 ( 2.557 8.522 -7.195) 11.442 1.688 ( -1.791 8.035 3.322) 8.877 2.080 ( 2.926 4.488 -2.037) 5.731 2.151 ( 6.896 -2.825 2.319) 7.805 2.400 ( 3.429 2.889 -1.957) 4.893 2.527 ( 6.228 2.161 -1.316) 6.722 2.827 ( 3.578 8.843 -2.757) 9.930 2.966 ( -4.437 -0.406 0.125) 4.457 3.070 ( -0.694 -1.537 2.253) 2.815 3.127 ( -1.637 7.268 2.650) 7.908 3.224 ( -3.936 3.730 -0.444) 5.440 3.538 ( 0.363 3.239 -0.392) 3.283 3.757 ( 9.147 -1.481 2.200) 9.524 3.906 ( -3.076 -0.557 0.011) 3.126 4.115 ( 0.607 4.601 5.223) 6.987 4.265 ( 1.335 -2.818 -10.253) 10.717 4.340 ( 3.380 6.000 -2.182) 7.224 4.559 ( -14.787 8.680 1.693) 17.230 4.709 ( -13.129 8.260 0.301) 15.514 5.014 ( -8.259 -1.292 -0.372) 8.367 5.112 ( -9.288 4.285 -0.152) 10.229 5.442 ( 7.006 5.569 -4.757) 10.136 5.752 ( -6.911 1.576 1.495) 7.244 6.081 ( 10.599 1.213 0.315) 10.672 6.212 ( 2.628 -0.771 4.349) 5.140 6.389 ( 7.115 -6.843 -1.676) 10.013 6.429 ( 5.097 -4.245 1.997) 6.928 6.565 ( 8.567 -8.618 3.054) 12.530 6.839 ( 2.767 -2.930 1.930) 4.469 7.099 ( -1.546 -1.374 -4.325) 4.794 7.266 ( -6.072 -4.895 -0.516) 7.817 7.514 ( -1.703 -4.651 -3.203) 5.898 7.591 ( 1.672 -0.719 -5.750) 6.031 7.765 ( -0.511 2.321 6.244) 6.681 7.964 ( -2.990 -0.568 -1.130) 3.247 8.424 ( 4.968 -2.039 0.827) 5.434 8.561 ( 1.089 4.362 2.605) 5.196 8.823 ( 5.822 5.695 -0.293) 8.150 8.980 ( 2.023 -0.441 3.087) 3.718 9.126 ( -2.163 3.593 -1.903) 4.606 9.410 ( -9.735 5.036 1.143) 11.020 9.701 ( 6.528 0.814 -5.616) 8.650 9.795 ( 0.596 1.154 3.315) 3.561 10.536 ( 2.141 1.327 1.535) 2.949 10.755 ( -1.530 -0.343 -3.429) 3.770 11.701 ( -2.265 -4.268 -4.513) 6.611 11.982 ( -13.493 -8.492 -0.678) 15.957 12.607 ( 4.349 5.872 0.399) 7.318 12.704 ( -0.037 7.284 2.125) 7.588 13.488 ( 3.580 -0.217 0.840) 3.684 13.731 ( -0.531 3.874 -1.659) 4.248 13.944 ( 1.704 -3.444 -0.445) 3.868 14.044 ( -2.741 -3.703 3.131) 5.570 14.278 ( -6.147 1.120 -4.628) 7.775 14.412 ( -5.180 -1.737 -1.626) 5.700 14.631 ( 4.101 4.256 0.759) 5.959 14.860 ( -3.894 1.822 3.647) 5.638 15.443 ( 8.892 -5.630 2.555) 10.830 15.751 ( -4.579 -3.842 7.559) 9.637 15.900 ( 6.467 5.309 -2.644) 8.775 16.442 ( 1.554 -3.524 -13.826) 14.353 16.927 ( -5.053 3.918 9.984) 11.856 17.223 ( -3.296 -6.704 -3.286) 8.161 18.352 ( 1.890 -7.025 -5.779) 9.291 18.424 ( 0.045 -22.396 14.954) 26.929 18.801 ( 4.473 0.135 -0.473) 4.500 19.443 ( -2.246 1.051 5.568) 6.095 19.527 ( 4.939 5.314 -6.635) 9.831 19.949 ( -8.818 -3.472 -9.660) 13.533 20.692 ( 3.453 1.760 4.274) 5.770 20.782 ( 2.224 7.520 -4.778) 9.183 21.574 ( 16.535 8.135 2.716) 18.627 22.576 ( -12.696 5.748 0.697) 13.954 23.271 ( -0.071 2.387 0.709) 2.491 23.497 ( -4.027 1.226 -3.034) 5.188 24.089 ( 2.153 -3.518 2.484) 4.814 24.256 ( -1.497 -0.353 -1.750) 2.330 ======================= Grid point 260 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.863 8.023 11.998) 14.459 1.341 ( 2.520 1.523 -14.088) 14.392 1.596 ( 0.710 9.287 9.372) 13.213 1.902 ( -5.212 8.523 -11.558) 15.277 2.266 ( 6.295 4.145 -2.285) 7.876 2.336 ( -2.720 6.549 2.139) 7.407 2.565 ( 3.022 5.628 1.954) 6.680 2.709 ( -2.200 9.108 -2.137) 9.611 2.895 ( 0.677 2.496 1.490) 2.985 3.041 ( 1.860 4.628 -2.390) 5.531 3.070 ( -6.529 2.360 8.541) 11.007 3.122 ( -5.333 -2.174 -4.004) 7.014 3.553 ( 6.210 2.552 2.913) 7.318 3.825 ( -8.669 0.407 -4.953) 9.993 3.915 ( 9.984 0.686 2.927) 10.427 4.099 ( 3.275 7.377 3.277) 8.711 4.220 ( -6.304 -0.707 -0.144) 6.345 4.268 ( -0.496 5.981 -0.592) 6.031 4.339 ( -1.999 2.538 -7.272) 7.957 4.442 ( -9.721 8.781 1.790) 13.222 4.921 ( -0.721 1.416 -2.220) 2.730 5.002 ( -8.366 0.472 3.888) 9.237 5.435 ( 9.142 5.734 -5.012) 11.898 5.640 ( -9.864 1.551 1.420) 10.086 6.181 ( 8.373 -0.440 -2.308) 8.696 6.260 ( -1.308 -1.710 4.560) 5.042 6.537 ( 5.140 -2.519 1.158) 5.840 6.575 ( 4.364 -5.279 -1.336) 6.978 6.780 ( 5.785 -7.562 2.658) 9.885 6.914 ( -1.864 -4.755 -1.290) 5.268 7.123 ( 1.964 -6.840 3.511) 7.936 7.283 ( -5.283 -8.902 -4.017) 11.103 7.530 ( 0.173 -0.666 1.282) 1.455 7.602 ( 2.706 -2.994 -9.789) 10.588 7.768 ( 1.446 2.927 6.688) 7.442 7.929 ( -5.949 -3.797 -1.407) 7.196 8.482 ( 3.342 2.419 -0.503) 4.156 8.523 ( -0.386 4.230 2.361) 4.860 8.838 ( 10.577 5.985 -0.602) 12.168 9.025 ( -1.167 4.104 -1.423) 4.498 9.033 ( 0.378 0.464 0.941) 1.115 9.205 ( -11.821 4.999 0.964) 12.871 9.740 ( 6.148 0.389 -5.094) 7.994 9.796 ( -1.683 0.883 3.632) 4.100 10.569 ( 3.199 1.350 4.483) 5.670 10.709 ( -2.199 -0.159 -5.448) 5.877 11.734 ( 3.094 -5.433 -6.082) 8.722 11.921 ( -15.143 -8.982 2.043) 17.724 12.585 ( 3.092 5.141 1.541) 6.194 12.631 ( 0.252 4.904 -0.409) 4.928 13.518 ( 3.954 3.804 2.266) 5.936 13.653 ( -2.315 3.286 -4.083) 5.729 13.984 ( -2.319 -1.710 5.614) 6.310 14.063 ( -1.270 -3.693 -7.267) 8.250 14.252 ( 2.419 -4.501 -0.848) 5.180 14.373 ( -6.201 -3.382 0.699) 7.098 14.643 ( 4.589 3.218 1.307) 5.756 14.775 ( -5.507 3.660 1.500) 6.780 15.635 ( 7.711 -5.144 -0.262) 9.273 15.768 ( -6.337 -2.880 4.932) 8.531 15.923 ( 10.140 7.827 5.408) 13.904 16.291 ( -6.789 6.812 -14.952) 17.778 17.009 ( 3.849 -5.240 13.615) 15.088 17.240 ( -3.155 -6.547 -6.604) 9.820 18.458 ( 6.317 -5.536 -4.697) 9.624 18.649 ( -10.499 -12.591 1.158) 16.435 19.026 ( 13.384 -9.981 9.980) 19.451 19.391 ( -9.044 -2.496 -1.415) 9.489 19.544 ( 8.303 1.794 4.044) 9.408 19.823 ( -7.872 -4.071 -11.829) 14.780 20.671 ( 8.221 7.438 -10.874) 15.529 20.730 ( -5.975 -0.227 10.180) 11.806 21.699 ( 22.220 11.918 0.461) 25.219 22.259 ( -20.108 11.968 1.888) 23.476 23.254 ( 2.417 3.240 1.734) 4.399 23.392 ( -5.063 2.933 -3.532) 6.834 24.170 ( 2.020 -2.548 1.028) 3.410 24.230 ( -2.002 -0.228 -0.436) 2.061 ======================= Grid point 261 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -4.682 -4.371 -20.896) 21.855 1.247 ( 4.682 -4.371 20.896) 21.855 1.608 ( -8.137 8.837 -15.850) 19.887 1.608 ( 8.137 8.837 15.850) 19.887 2.214 ( 4.869 7.118 -7.483) 11.418 2.214 ( -4.869 7.118 7.483) 11.418 2.497 ( -2.387 10.343 -5.160) 11.802 2.497 ( 2.387 10.343 5.160) 11.802 2.948 ( -3.009 2.803 -4.219) 5.892 2.948 ( 3.009 2.803 4.219) 5.892 3.085 ( -0.269 -3.133 -6.424) 7.152 3.085 ( 0.269 -3.133 6.424) 7.152 3.626 ( -9.096 4.972 -3.836) 11.053 3.626 ( 9.096 4.972 3.836) 11.053 3.985 ( -3.850 6.064 -1.559) 7.351 3.985 ( 3.850 6.064 1.559) 7.351 4.226 ( -0.895 -0.813 -1.459) 1.895 4.226 ( 0.895 -0.813 1.459) 1.895 4.300 ( 2.499 0.573 -10.191) 10.509 4.300 ( -2.499 0.573 10.191) 10.509 4.922 ( 5.290 1.927 -4.084) 6.955 4.922 ( -5.290 1.927 4.084) 6.955 5.478 ( -9.121 3.700 0.314) 9.848 5.478 ( 9.121 3.700 -0.314) 9.848 6.282 ( 5.033 -3.972 -3.590) 7.348 6.282 ( -5.033 -3.972 3.590) 7.348 6.592 ( 0.426 2.085 -3.724) 4.289 6.592 ( -0.426 2.085 3.724) 4.289 6.959 ( -2.148 -8.818 -3.124) 9.599 6.959 ( 2.148 -8.818 3.124) 9.599 7.306 ( -3.597 -7.891 -4.814) 9.919 7.306 ( 3.597 -7.891 4.814) 9.919 7.564 ( -1.537 1.362 -5.790) 6.143 7.564 ( 1.537 1.362 5.790) 6.143 7.880 ( -10.975 -5.045 0.371) 12.085 7.880 ( 10.975 -5.045 -0.371) 12.085 8.449 ( -1.377 6.497 -1.207) 6.750 8.449 ( 1.377 6.497 1.207) 6.750 8.900 ( -5.384 3.699 -1.723) 6.756 8.900 ( 5.384 3.699 1.723) 6.756 9.054 ( 0.576 1.757 -2.691) 3.265 9.054 ( -0.576 1.757 2.691) 3.265 9.777 ( 3.791 -0.111 -5.020) 6.292 9.777 ( -3.791 -0.111 5.020) 6.292 10.634 ( -3.278 0.531 -6.798) 7.566 10.634 ( 3.278 0.531 6.798) 7.566 11.871 ( 9.985 -6.655 -5.144) 13.056 11.871 ( -9.985 -6.655 5.144) 13.056 12.568 ( -0.011 3.272 -3.672) 4.918 12.568 ( 0.011 3.272 3.672) 4.918 13.535 ( -0.214 3.698 -7.386) 8.263 13.535 ( 0.214 3.698 7.386) 8.263 14.041 ( -2.276 -2.379 -6.511) 7.296 14.041 ( 2.276 -2.379 6.511) 7.296 14.362 ( 4.036 -4.133 -6.289) 8.539 14.362 ( -4.036 -4.133 6.289) 8.539 14.672 ( 0.238 1.891 -3.169) 3.698 14.672 ( -0.238 1.891 3.169) 3.698 15.741 ( 3.063 0.203 -4.267) 5.256 15.741 ( -3.063 0.203 4.267) 5.256 15.997 ( -7.891 7.229 -11.451) 15.673 15.997 ( 7.891 7.229 11.451) 15.673 17.233 ( -1.530 -6.981 -11.548) 13.580 17.233 ( 1.530 -6.981 11.548) 13.580 18.608 ( -7.999 -3.551 -2.587) 9.126 18.608 ( 7.999 -3.551 2.587) 9.126 19.296 ( -6.492 -1.655 -5.737) 8.820 19.296 ( 6.492 -1.655 5.737) 8.820 19.749 ( -4.348 -9.638 -13.329) 17.014 19.749 ( 4.348 -9.638 13.329) 17.014 20.691 ( 11.610 -1.965 -7.714) 14.077 20.691 ( -11.610 -1.965 7.714) 14.077 21.799 ( -10.136 16.793 -5.076) 20.262 21.799 ( 10.136 16.793 5.076) 20.262 23.265 ( 1.091 3.538 -7.681) 8.527 23.265 ( -1.091 3.538 7.681) 8.527 24.212 ( 1.319 -0.337 -2.376) 2.738 24.212 ( -1.319 -0.337 2.376) 2.738 ======================= Grid point 265 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 23.669 -0.000 -0.241) 23.670 1.417 ( 16.287 -0.000 -14.797) 22.005 1.812 ( 0.706 -0.000 8.087) 8.117 1.898 ( -1.988 0.000 6.316) 6.622 2.066 ( 2.155 -0.000 -0.349) 2.183 2.193 ( -1.418 0.000 6.597) 6.748 2.695 ( 10.459 -0.000 -9.847) 14.365 2.776 ( 3.252 -0.000 -5.673) 6.539 2.826 ( 5.636 -0.000 -2.886) 6.332 3.104 ( 7.610 -0.000 2.146) 7.907 3.331 ( -1.769 0.000 5.559) 5.833 3.428 ( 3.289 -0.000 0.031) 3.290 3.499 ( 0.982 -0.000 1.741) 1.999 3.728 ( 15.354 -0.000 -14.049) 20.811 3.754 ( 6.259 -0.000 -4.831) 7.907 4.086 ( 7.429 -0.000 -7.583) 10.616 4.264 ( -5.093 0.000 9.301) 10.604 4.455 ( 5.211 -0.000 -3.728) 6.407 4.564 ( 1.986 -0.000 2.717) 3.366 4.628 ( 12.435 -0.000 -7.115) 14.327 4.954 ( 5.612 -0.000 0.039) 5.612 5.130 ( -0.055 0.000 11.222) 11.222 5.316 ( 17.978 -0.000 7.252) 19.386 5.782 ( -9.946 0.000 2.856) 10.348 6.081 ( 0.289 -0.000 3.556) 3.568 6.226 ( -1.399 0.000 -3.077) 3.380 6.276 ( -14.183 0.000 7.693) 16.135 6.402 ( -6.796 0.000 -1.733) 7.014 6.812 ( -6.237 0.000 -2.901) 6.878 6.903 ( -5.126 0.000 0.143) 5.128 7.228 ( -1.646 0.000 -4.567) 4.854 7.316 ( -0.731 0.000 -6.680) 6.719 7.435 ( -2.844 0.000 2.062) 3.513 7.557 ( 2.930 -0.000 -4.568) 5.427 7.875 ( -0.562 0.000 8.716) 8.734 8.258 ( -1.403 0.000 -0.680) 1.559 8.357 ( -10.246 0.000 2.720) 10.601 8.523 ( 4.298 -0.000 12.931) 13.627 8.669 ( -3.277 0.000 -3.545) 4.827 8.812 ( 12.811 -0.000 0.136) 12.812 9.172 ( 1.623 -0.000 0.476) 1.691 9.449 ( 10.038 -0.000 -6.677) 12.056 9.713 ( -1.757 0.000 3.918) 4.294 9.714 ( -1.624 0.000 3.118) 3.515 10.432 ( 3.622 -0.000 -1.046) 3.770 10.825 ( -0.807 0.000 1.186) 1.434 11.976 ( -2.646 0.000 2.765) 3.827 12.108 ( -10.730 0.000 -3.677) 11.342 12.452 ( 0.753 -0.000 6.031) 6.078 13.001 ( 9.741 -0.000 8.067) 12.648 13.363 ( -2.842 0.000 10.817) 11.184 13.858 ( 4.460 -0.000 -1.334) 4.656 13.916 ( -3.458 0.000 6.491) 7.355 14.285 ( -8.097 0.000 4.792) 9.409 14.301 ( 2.274 -0.000 -16.527) 16.683 14.425 ( -0.238 0.000 2.245) 2.258 14.696 ( 5.885 -0.000 -8.945) 10.708 14.706 ( 4.081 -0.000 4.170) 5.834 15.525 ( 0.645 -0.000 -1.817) 1.928 15.728 ( -5.426 0.000 9.619) 11.044 15.875 ( 3.559 -0.000 -6.183) 7.135 16.153 ( -3.341 0.000 6.802) 7.578 16.757 ( -6.493 0.000 -28.727) 29.452 17.034 ( -13.315 0.000 12.913) 18.548 18.213 ( -21.825 0.000 -15.619) 26.838 18.583 ( -4.594 0.000 2.963) 5.467 18.977 ( 2.848 -0.000 -5.037) 5.786 19.582 ( 2.743 -0.000 9.076) 9.482 19.722 ( -6.277 0.000 -4.238) 7.574 19.884 ( -0.929 0.000 7.608) 7.665 20.584 ( 2.811 -0.000 -3.474) 4.469 20.920 ( 10.827 -0.000 6.783) 12.777 21.459 ( 5.697 -0.000 3.007) 6.442 22.230 ( 15.418 -0.000 -5.790) 16.470 23.254 ( -4.206 0.000 1.708) 4.540 23.502 ( 2.474 -0.000 2.908) 3.818 24.162 ( -4.056 0.000 1.997) 4.521 24.237 ( 3.247 -0.000 -5.071) 6.022 ======================= Grid point 266 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 13.053 6.644 -6.056) 15.849 1.606 ( 20.793 -3.234 -5.594) 21.774 1.825 ( 5.158 2.317 0.584) 5.685 1.947 ( -1.273 -3.485 3.418) 5.045 2.116 ( 2.008 1.605 5.652) 6.209 2.268 ( 3.574 -2.698 6.500) 7.894 2.691 ( 1.519 5.201 -4.242) 6.881 2.796 ( 3.766 -3.541 -6.696) 8.459 2.908 ( 8.250 0.689 -1.101) 8.352 3.176 ( 6.631 5.351 0.836) 8.561 3.283 ( -3.476 0.346 0.771) 3.577 3.437 ( 3.868 3.972 -0.155) 5.546 3.601 ( 5.078 -1.712 3.503) 6.402 3.747 ( 6.038 4.520 -9.251) 11.936 3.883 ( 16.749 -0.900 -8.062) 18.610 4.126 ( -0.646 1.069 -4.562) 4.730 4.264 ( 2.756 -6.022 -1.711) 6.840 4.484 ( 0.629 1.054 -1.914) 2.274 4.565 ( 0.301 0.479 0.765) 0.951 4.754 ( 3.829 -7.206 -4.659) 9.396 5.068 ( 8.185 0.305 3.083) 8.751 5.259 ( 7.295 -4.407 6.688) 10.834 5.619 ( 16.409 -2.183 10.320) 19.507 5.661 ( -8.633 1.884 1.879) 9.034 6.042 ( -6.133 1.147 -0.829) 6.295 6.135 ( -9.724 0.398 4.183) 10.593 6.249 ( 3.679 0.663 4.668) 5.980 6.294 ( -6.533 3.709 1.238) 7.614 6.631 ( -7.365 9.080 -2.160) 11.889 6.890 ( -4.247 -6.100 -2.987) 8.011 7.164 ( 1.007 6.164 -2.974) 6.918 7.275 ( -0.220 -1.007 -3.936) 4.069 7.398 ( -1.712 -0.184 -3.989) 4.345 7.628 ( 3.296 -5.487 -1.707) 6.624 7.902 ( -1.552 1.860 8.212) 8.562 8.118 ( -6.727 8.565 1.397) 10.980 8.319 ( -5.390 -4.009 0.146) 6.719 8.574 ( -4.247 -1.219 -4.434) 6.260 8.676 ( 5.497 1.938 14.262) 15.407 8.998 ( 10.670 -3.029 0.179) 11.093 9.186 ( 3.052 2.736 0.289) 4.108 9.524 ( 6.676 -1.473 -6.643) 9.533 9.686 ( -0.535 2.354 2.883) 3.760 9.755 ( -0.054 -1.830 3.567) 4.009 10.488 ( 5.029 -0.119 -0.415) 5.048 10.809 ( -1.553 0.151 -0.787) 1.748 11.879 ( -7.590 3.722 -0.677) 8.481 11.992 ( -10.965 -4.227 -1.455) 11.841 12.547 ( 7.185 -0.301 6.557) 9.732 13.088 ( 5.231 6.130 4.874) 9.418 13.397 ( -4.311 -0.447 10.360) 11.230 13.818 ( 0.338 4.644 1.333) 4.844 13.978 ( -3.166 -5.208 3.040) 6.811 14.165 ( -0.241 6.243 -9.702) 11.540 14.247 ( -2.779 -2.150 -3.283) 4.809 14.476 ( 0.926 -3.193 5.533) 6.455 14.704 ( 6.154 1.274 -4.720) 7.860 14.788 ( 1.124 -2.149 -0.646) 2.510 15.446 ( 0.772 9.933 -1.823) 10.129 15.702 ( -6.853 0.284 8.996) 11.312 15.871 ( 3.528 0.502 -6.541) 7.449 16.288 ( -5.609 -18.866 6.978) 20.883 16.514 ( 0.844 1.676 -25.271) 25.340 16.996 ( -12.747 -6.465 10.137) 17.522 17.922 ( -12.489 -0.439 -9.127) 15.474 18.492 ( -9.509 0.635 -0.195) 9.532 18.979 ( 4.161 3.621 -5.417) 7.732 19.589 ( -0.583 5.658 -0.191) 5.691 19.633 ( 0.448 0.900 3.506) 3.647 19.963 ( -2.666 -4.717 4.358) 6.953 20.612 ( 5.392 1.372 -0.961) 5.646 21.022 ( 6.643 2.845 -1.865) 7.464 21.539 ( 7.771 5.485 9.620) 13.528 22.465 ( 12.386 -10.218 -4.528) 16.682 23.191 ( -5.947 -0.099 1.549) 6.146 23.541 ( -0.490 -1.319 2.034) 2.473 24.108 ( -4.114 1.985 2.211) 5.075 24.249 ( 2.457 -1.033 -5.639) 6.237 ======================= Grid point 267 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 7.785 1.979 -1.107) 8.109 1.829 ( 14.128 4.745 -5.514) 15.891 1.897 ( 10.047 3.115 -0.651) 10.538 1.967 ( 1.228 -0.506 3.248) 3.509 2.134 ( 0.022 2.276 6.232) 6.635 2.388 ( 5.521 -0.872 0.535) 5.615 2.606 ( 3.223 4.999 -5.150) 7.868 2.864 ( 2.431 -3.633 -0.344) 4.385 2.985 ( 9.543 3.385 -1.314) 10.210 3.147 ( 0.049 3.693 0.429) 3.718 3.274 ( 2.233 2.230 -0.674) 3.227 3.423 ( 2.379 4.361 0.014) 4.968 3.667 ( 2.817 1.900 1.774) 3.833 3.708 ( 5.916 3.902 -5.329) 8.867 3.950 ( 2.084 4.883 -6.176) 8.144 4.112 ( 3.352 -3.822 -2.776) 5.792 4.381 ( 9.295 2.416 -9.970) 13.843 4.433 ( -3.578 -0.295 4.562) 5.805 4.613 ( -1.483 -9.749 -3.291) 10.396 4.827 ( -2.628 -5.061 -1.296) 5.848 5.101 ( -0.696 7.170 3.692) 8.094 5.420 ( 1.173 0.767 5.597) 5.770 5.610 ( 5.677 1.079 0.190) 5.782 5.827 ( 2.016 -2.927 7.446) 8.250 5.937 ( -5.294 0.231 -1.177) 5.428 6.134 ( 2.343 -3.207 2.850) 4.889 6.180 ( 0.332 5.885 0.280) 5.901 6.335 ( 5.546 1.020 4.952) 7.504 6.421 ( -6.864 6.056 1.966) 9.362 6.901 ( -3.873 -6.610 -4.569) 8.920 7.051 ( 2.715 10.738 -2.936) 11.458 7.293 ( 0.968 -2.574 -0.185) 2.756 7.366 ( -3.196 -3.381 -6.228) 7.774 7.692 ( 0.395 0.799 -1.364) 1.629 7.860 ( -2.133 5.112 3.029) 6.314 7.998 ( -3.666 1.203 5.749) 6.924 8.300 ( -1.524 -1.752 -1.819) 2.949 8.541 ( -5.308 -5.590 -1.599) 7.873 8.795 ( 5.685 3.150 12.395) 13.996 9.137 ( 7.851 0.326 0.283) 7.863 9.175 ( 2.908 4.400 -0.710) 5.322 9.562 ( 1.349 -0.519 -3.678) 3.952 9.682 ( 2.494 0.652 -0.479) 2.622 9.794 ( 0.438 -0.384 3.397) 3.447 10.538 ( 4.585 1.186 -1.142) 4.871 10.782 ( -1.555 -0.130 -1.221) 1.982 11.734 ( -7.600 1.807 -1.742) 8.004 11.902 ( -11.042 -4.253 -1.111) 11.885 12.687 ( 9.336 1.571 4.913) 10.666 13.052 ( 1.472 9.028 3.581) 9.823 13.381 ( -4.903 -0.453 4.925) 6.964 13.810 ( 2.102 0.595 1.460) 2.627 13.979 ( -6.090 -1.930 2.902) 7.017 14.026 ( 2.634 7.419 -8.977) 11.940 14.252 ( -3.625 -3.758 3.046) 6.045 14.573 ( 0.531 -3.658 2.580) 4.508 14.720 ( 1.715 4.897 -0.715) 5.238 14.793 ( 1.592 -2.901 -5.147) 6.119 15.336 ( 2.700 6.643 -0.459) 7.185 15.671 ( -6.979 -0.848 8.382) 10.940 15.885 ( 4.380 -1.135 -5.954) 7.478 16.348 ( -2.408 -4.199 -12.179) 13.106 16.614 ( 2.120 -19.558 -1.471) 19.727 16.985 ( -12.839 -7.609 7.051) 16.506 17.820 ( -4.280 -4.709 0.935) 6.432 18.345 ( -9.466 1.151 -3.156) 10.045 18.922 ( 3.514 5.994 -4.868) 8.484 19.547 ( 0.627 3.581 1.824) 4.067 19.637 ( 1.613 1.179 -1.110) 2.285 19.969 ( -5.562 -2.434 -0.539) 6.095 20.671 ( 6.198 1.593 2.367) 6.823 21.021 ( 5.154 4.596 -4.864) 8.447 21.635 ( 11.026 6.536 9.691) 16.069 22.662 ( 4.126 -5.498 -4.266) 8.090 23.166 ( -4.264 -4.711 3.027) 7.038 23.546 ( -2.552 -1.183 0.302) 2.829 24.049 ( -2.632 2.243 2.994) 4.574 24.251 ( 1.026 -1.146 -5.847) 6.046 ======================= Grid point 268 (132/140) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 5.526 3.919 -0.833) 6.826 1.724 ( 0.760 12.564 -4.196) 13.268 1.938 ( 5.678 7.706 1.277) 9.657 2.064 ( 8.557 3.068 6.977) 11.459 2.153 ( -0.146 -1.825 1.131) 2.152 2.416 ( 1.840 -0.282 -4.622) 4.982 2.616 ( 11.020 3.814 -5.580) 12.927 2.928 ( -1.914 -2.419 3.776) 4.875 3.035 ( 9.405 6.159 -2.393) 11.494 3.116 ( 1.937 2.781 0.549) 3.433 3.240 ( -0.153 3.812 -0.618) 3.864 3.370 ( -1.903 5.188 0.650) 5.564 3.633 ( 0.782 4.448 -1.102) 4.648 3.772 ( 10.271 2.706 1.958) 10.801 3.857 ( -3.988 -0.816 -6.393) 7.579 4.167 ( 2.886 -2.063 -6.589) 7.484 4.334 ( 1.697 7.658 5.311) 9.473 4.443 ( 4.524 1.510 -7.971) 9.289 4.685 ( -7.866 -7.773 -0.009) 11.059 4.811 ( -7.496 -2.621 -2.075) 8.207 4.936 ( -5.352 9.921 4.968) 12.319 5.339 ( -7.997 8.960 3.176) 12.423 5.603 ( 4.144 7.306 -2.047) 8.645 5.829 ( -8.462 2.837 3.838) 9.715 6.015 ( 10.448 -7.698 -1.637) 13.081 6.196 ( 4.769 -3.550 0.466) 5.963 6.280 ( 8.722 -1.920 4.284) 9.905 6.294 ( -2.654 0.533 0.917) 2.858 6.462 ( 5.252 0.058 6.268) 8.178 6.901 ( -2.481 -0.356 -0.194) 2.514 6.964 ( 3.568 0.745 -7.739) 8.554 7.276 ( -7.824 1.958 -0.020) 8.065 7.371 ( 1.676 -5.186 -2.729) 6.095 7.606 ( -2.947 3.193 -3.365) 5.496 7.837 ( 1.167 2.626 4.659) 5.474 7.988 ( -1.683 0.919 1.958) 2.740 8.338 ( 2.958 -4.292 -1.361) 5.388 8.549 ( -5.412 -5.580 0.622) 7.798 8.890 ( 5.345 3.166 9.836) 11.634 9.135 ( 3.982 6.379 -1.336) 7.637 9.185 ( 3.546 3.167 -1.478) 4.979 9.513 ( -5.278 2.526 0.229) 5.855 9.720 ( 5.961 0.031 -4.605) 7.533 9.818 ( -0.195 0.270 3.725) 3.740 10.565 ( 3.987 1.484 -0.782) 4.326 10.756 ( -1.525 0.193 -1.532) 2.170 11.633 ( -5.010 -0.702 -2.160) 5.501 11.814 ( -11.137 -4.544 -1.149) 12.083 12.763 ( 7.070 5.816 1.338) 9.252 12.944 ( -1.617 9.913 3.737) 10.716 13.408 ( 1.765 -4.340 2.010) 5.098 13.823 ( -4.140 -0.263 1.201) 4.319 13.937 ( 2.304 2.215 -2.095) 3.821 13.965 ( 0.782 1.394 1.165) 1.978 14.262 ( -5.192 -2.428 3.245) 6.587 14.488 ( -5.905 5.877 -8.505) 11.906 14.712 ( 3.076 1.123 1.996) 3.835 14.848 ( 0.227 -2.703 1.460) 3.081 15.352 ( 6.834 0.015 -0.147) 6.836 15.656 ( -7.228 -2.790 7.857) 11.035 15.943 ( 7.091 -1.575 -3.953) 8.270 16.328 ( 0.998 -4.522 -11.019) 11.952 16.849 ( -1.411 -13.728 -1.417) 13.873 16.967 ( -11.649 -8.882 5.401) 15.613 17.946 ( -0.393 -12.456 9.672) 15.775 18.224 ( -4.485 -2.141 -6.034) 7.818 18.884 ( 5.998 5.230 -0.844) 8.003 19.484 ( -6.469 1.766 -0.212) 6.709 19.641 ( 5.749 3.041 -3.796) 7.530 19.897 ( -6.664 -0.613 -3.058) 7.358 20.741 ( 4.585 2.119 5.331) 7.344 20.973 ( 3.582 5.891 -6.483) 9.464 21.768 ( 15.714 6.768 7.909) 18.849 22.648 ( -6.483 0.554 -3.539) 7.407 23.232 ( -0.461 -5.115 3.187) 6.044 23.509 ( -4.183 -0.410 -1.951) 4.634 24.039 ( 0.184 0.027 4.276) 4.280 24.234 ( -0.511 -1.115 -5.479) 5.615 ======================= Grid point 269 (133/140) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 1.050 14.788 0.229) 14.827 1.527 ( -0.496 12.087 -6.383) 13.678 1.899 ( 5.910 11.621 5.365) 14.098 2.105 ( -4.101 5.757 -1.994) 7.344 2.233 ( 8.242 -5.098 4.305) 10.605 2.408 ( -2.599 -2.328 -2.153) 4.100 2.678 ( 12.692 4.631 -5.873) 14.732 2.888 ( -7.834 2.389 2.853) 8.673 3.028 ( 8.047 8.428 -1.655) 11.769 3.117 ( 2.257 3.275 0.967) 4.093 3.184 ( -1.177 3.754 0.116) 3.936 3.235 ( -6.451 7.676 0.888) 10.066 3.600 ( 2.959 2.258 1.159) 3.898 3.770 ( -5.426 -1.927 -5.106) 7.696 3.918 ( 9.928 0.267 4.496) 10.902 4.166 ( 0.353 -1.407 -9.920) 10.026 4.297 ( 2.812 7.459 6.088) 10.030 4.417 ( 2.089 2.672 -5.781) 6.703 4.585 ( -5.552 10.715 3.490) 12.563 4.652 ( -8.920 3.161 0.434) 9.474 4.898 ( -1.434 -1.984 1.390) 2.815 5.071 ( -11.376 9.459 -0.351) 14.798 5.570 ( 6.830 5.122 -4.569) 9.683 5.704 ( -8.285 3.474 4.197) 9.916 6.198 ( 7.642 -3.499 -2.046) 8.650 6.275 ( 0.122 1.058 1.231) 1.628 6.339 ( 3.980 -6.164 3.274) 8.035 6.412 ( 1.165 -3.586 0.875) 3.871 6.625 ( 10.794 -6.096 4.857) 13.314 6.873 ( -0.851 0.810 0.011) 1.175 7.003 ( 1.825 -5.921 -6.529) 9.001 7.125 ( -9.708 1.528 -0.379) 9.835 7.447 ( 2.318 -3.752 -0.431) 4.431 7.540 ( -2.618 -1.280 -2.882) 4.098 7.848 ( 1.250 3.182 6.089) 6.983 7.942 ( -1.443 2.488 -2.746) 3.977 8.445 ( 4.919 -4.304 -1.334) 6.670 8.550 ( -4.932 -3.188 1.770) 6.134 8.968 ( 4.602 2.287 6.900) 8.604 9.099 ( 1.399 3.252 -1.897) 4.017 9.142 ( 5.495 7.887 -2.947) 10.054 9.367 ( -9.696 6.059 1.230) 11.499 9.764 ( 6.474 0.693 -5.332) 8.415 9.824 ( -2.168 0.654 4.266) 4.830 10.598 ( 3.983 1.111 1.238) 4.316 10.713 ( -2.448 0.610 -2.657) 3.664 11.611 ( 0.097 -3.254 -2.670) 4.210 11.735 ( -10.640 -5.000 0.247) 11.759 12.747 ( 4.660 7.090 -0.890) 8.531 12.814 ( -2.535 8.577 2.961) 9.421 13.534 ( 6.936 -3.222 0.804) 7.690 13.739 ( -6.804 1.419 0.354) 6.959 13.943 ( 0.170 0.943 4.825) 4.919 14.005 ( 3.513 -1.383 -3.965) 5.475 14.215 ( -3.731 1.295 0.465) 3.976 14.312 ( -5.778 0.592 -4.648) 7.439 14.739 ( 4.503 2.934 0.293) 5.383 14.846 ( -4.227 1.089 2.218) 4.896 15.486 ( 8.757 -4.867 -1.371) 10.112 15.653 ( -7.978 -4.569 6.070) 11.017 16.055 ( 9.766 0.641 2.672) 10.145 16.321 ( -1.567 -3.262 -11.785) 12.328 16.916 ( -4.175 -4.357 7.904) 9.944 17.017 ( -5.141 -10.865 -4.360) 12.786 18.193 ( -1.599 -15.449 8.110) 17.522 18.249 ( 1.029 -10.324 -4.842) 11.450 18.947 ( 10.950 2.334 4.977) 12.252 19.341 ( -11.790 -0.071 -4.287) 12.545 19.650 ( 6.475 3.895 -2.956) 8.114 19.794 ( -6.194 0.946 -3.029) 6.960 20.783 ( 1.315 3.386 7.519) 8.350 20.877 ( 2.132 6.867 -8.235) 10.932 21.944 ( 20.014 7.156 5.460) 21.946 22.461 ( -15.094 4.333 -2.644) 15.925 23.300 ( 1.893 -0.917 2.945) 3.619 23.435 ( -4.608 0.414 -3.399) 5.741 24.098 ( 2.039 -2.182 4.303) 5.238 24.205 ( -1.762 -1.375 -4.376) 4.914 ======================= Grid point 270 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -1.446 10.147 -10.098) 14.388 1.316 ( 1.446 10.147 10.098) 14.388 1.876 ( -7.396 10.748 -8.907) 15.797 1.876 ( 7.396 10.748 8.907) 15.797 2.368 ( -0.498 1.320 -1.580) 2.119 2.368 ( 0.498 1.320 1.580) 2.119 2.732 ( -8.654 5.526 -0.171) 10.269 2.732 ( 8.654 5.526 0.171) 10.269 3.025 ( -7.351 5.763 -2.296) 9.619 3.025 ( 7.351 5.763 2.296) 9.619 3.107 ( 1.575 4.340 -3.647) 5.884 3.107 ( -1.575 4.340 3.647) 5.884 3.680 ( -7.230 -0.846 -5.005) 8.834 3.680 ( 7.230 -0.846 5.005) 8.834 4.071 ( -6.295 -0.315 -8.396) 10.498 4.071 ( 6.295 -0.315 8.396) 10.498 4.290 ( 0.113 6.778 -8.433) 10.820 4.290 ( -0.113 6.778 8.433) 10.820 4.467 ( -6.567 10.166 -0.041) 12.102 4.467 ( 6.567 10.166 0.041) 12.102 4.925 ( 0.903 -0.939 -1.710) 2.150 4.925 ( -0.903 -0.939 1.710) 2.150 5.579 ( 8.541 3.795 -4.620) 10.425 5.579 ( -8.541 3.795 4.620) 10.425 6.254 ( 3.791 1.632 -3.279) 5.271 6.254 ( -3.791 1.632 3.279) 5.271 6.492 ( 1.201 -8.965 -4.112) 9.936 6.492 ( -1.201 -8.965 4.112) 9.936 6.830 ( -6.651 -1.171 -1.305) 6.878 6.830 ( 6.651 -1.171 1.305) 6.878 7.077 ( -0.436 -7.146 -6.267) 9.515 7.077 ( 0.436 -7.146 6.267) 9.515 7.527 ( 1.501 -3.195 -6.269) 7.194 7.527 ( -1.501 -3.195 6.269) 7.194 7.861 ( 0.010 2.589 -7.790) 8.209 7.861 ( -0.010 2.589 7.790) 8.209 8.530 ( 1.897 -0.667 -1.324) 2.408 8.530 ( -1.897 -0.667 1.324) 2.408 9.023 ( -3.549 2.911 -4.422) 6.373 9.023 ( 3.549 2.911 4.422) 6.373 9.142 ( -7.797 6.865 -0.946) 10.432 9.142 ( 7.797 6.865 0.946) 10.432 9.794 ( 4.833 1.142 -4.819) 6.920 9.794 ( -4.833 1.142 4.819) 6.920 10.648 ( -2.855 0.616 -4.131) 5.060 10.648 ( 2.855 0.616 4.131) 5.060 11.698 ( 3.786 -5.624 -4.896) 8.362 11.698 ( -3.786 -5.624 4.896) 8.362 12.696 ( 1.210 6.445 -1.812) 6.804 12.696 ( -1.210 6.445 1.812) 6.804 13.633 ( 4.408 2.249 -13.121) 14.023 13.633 ( -4.408 2.249 13.121) 14.023 13.982 ( 1.419 -0.870 -8.624) 8.783 13.982 ( -1.419 -0.870 8.624) 8.783 14.250 ( 1.503 -3.119 -7.149) 7.943 14.250 ( -1.503 -3.119 7.149) 7.943 14.758 ( 0.948 3.523 -5.411) 6.526 14.758 ( -0.948 3.523 5.411) 6.526 15.649 ( 5.911 -5.359 -3.182) 8.590 15.649 ( -5.911 -5.359 3.182) 8.590 16.184 ( -7.956 3.826 -11.249) 14.299 16.184 ( 7.956 3.826 11.249) 14.299 17.042 ( -2.764 -7.259 -10.245) 12.857 17.042 ( 2.764 -7.259 10.245) 12.857 18.397 ( 5.301 -12.521 -7.659) 15.606 18.397 ( -5.301 -12.521 7.659) 15.606 19.161 ( -12.906 -3.630 -7.808) 15.514 19.161 ( 12.906 -3.630 7.808) 15.514 19.680 ( -2.729 2.090 -5.307) 6.323 19.680 ( 2.729 2.090 5.307) 6.323 20.768 ( 4.164 5.369 -10.752) 12.719 20.768 ( -4.164 5.369 10.752) 12.719 22.128 ( -9.424 8.620 -10.739) 16.687 22.128 ( 9.424 8.620 10.739) 16.687 23.347 ( 0.081 1.859 -7.158) 7.396 23.347 ( -0.081 1.859 7.158) 7.396 24.178 ( 0.832 -1.988 -6.105) 6.474 24.178 ( -0.832 -1.988 6.105) 6.474 ======================= Grid point 276 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 9.265 -0.000 -11.682) 14.910 1.697 ( 5.588 -0.000 0.645) 5.625 1.926 ( 8.530 -0.000 0.012) 8.530 1.955 ( 10.857 -0.000 -1.032) 10.906 2.283 ( 8.528 -0.000 8.505) 12.044 2.325 ( 3.697 -0.000 6.212) 7.229 2.711 ( 3.455 -0.000 -12.657) 13.120 2.774 ( 0.818 -0.000 3.456) 3.551 3.045 ( 10.928 -0.000 -0.114) 10.929 3.210 ( -6.039 0.000 2.719) 6.623 3.301 ( 4.764 -0.000 -1.853) 5.112 3.510 ( 3.002 -0.000 0.037) 3.002 3.691 ( 5.581 -0.000 3.773) 6.736 3.782 ( 5.370 -0.000 -13.432) 14.466 4.033 ( 13.239 -0.000 -6.396) 14.703 4.122 ( 1.454 -0.000 -4.819) 5.033 4.183 ( -3.397 0.000 1.739) 3.816 4.498 ( 5.993 -0.000 -10.212) 11.841 4.559 ( -4.756 0.000 4.726) 6.705 4.706 ( 1.374 -0.000 -3.538) 3.795 5.303 ( 19.658 -0.000 4.277) 20.118 5.346 ( 6.524 -0.000 5.327) 8.422 5.572 ( -7.630 0.000 0.684) 7.660 5.801 ( 2.202 -0.000 10.115) 10.351 5.983 ( -4.958 0.000 -0.649) 5.000 6.036 ( -6.675 0.000 2.470) 7.117 6.304 ( 2.716 -0.000 3.950) 4.794 6.336 ( 3.694 -0.000 7.194) 8.087 6.608 ( -6.775 0.000 -4.479) 8.122 6.734 ( -7.860 0.000 -2.067) 8.128 7.176 ( 1.129 -0.000 -4.339) 4.484 7.241 ( 1.410 -0.000 -6.920) 7.062 7.435 ( 0.585 -0.000 3.463) 3.512 7.597 ( 4.379 -0.000 -4.838) 6.526 7.941 ( -2.780 0.000 9.005) 9.425 8.162 ( -8.234 0.000 5.123) 9.698 8.163 ( -3.877 0.000 -1.809) 4.278 8.442 ( -7.362 0.000 -6.893) 10.085 8.854 ( 5.605 -0.000 14.851) 15.873 9.120 ( 10.097 -0.000 -1.238) 10.172 9.259 ( 3.955 -0.000 2.250) 4.550 9.544 ( 5.467 -0.000 -7.635) 9.390 9.738 ( -1.069 0.000 5.151) 5.260 9.741 ( 1.362 -0.000 -0.095) 1.366 10.565 ( 6.393 -0.000 0.295) 6.399 10.777 ( -1.684 0.000 -2.526) 3.036 11.791 ( -11.029 0.000 -1.776) 11.171 11.818 ( -8.767 0.000 0.093) 8.767 12.703 ( 10.769 -0.000 7.036) 12.864 13.180 ( 2.743 -0.000 -2.837) 3.946 13.397 ( -9.406 0.000 15.741) 18.337 13.818 ( -4.417 0.000 -4.701) 6.450 13.956 ( 0.628 -0.000 8.674) 8.697 14.170 ( -7.937 0.000 11.659) 14.104 14.172 ( 8.818 -0.000 -24.450) 25.992 14.499 ( 1.040 -0.000 5.306) 5.407 14.722 ( 3.508 -0.000 -6.484) 7.372 14.799 ( 0.008 -0.000 0.263) 0.263 15.542 ( 1.785 -0.000 -1.894) 2.603 15.653 ( -8.043 0.000 6.459) 10.316 15.885 ( 3.230 -0.000 -5.754) 6.598 16.073 ( -8.095 0.000 2.860) 8.585 16.424 ( 7.816 -0.000 -20.865) 22.281 16.867 ( -13.108 0.000 13.059) 18.503 17.765 ( -5.885 0.000 -3.206) 6.702 18.360 ( -10.488 0.000 -2.148) 10.706 19.020 ( 3.035 -0.000 -5.669) 6.431 19.607 ( -4.267 0.000 0.380) 4.284 19.642 ( 3.538 -0.000 -1.204) 3.738 19.935 ( -3.193 0.000 3.492) 4.731 20.695 ( 6.602 -0.000 0.873) 6.660 21.085 ( 4.117 -0.000 -4.585) 6.162 21.754 ( 8.048 -0.000 14.170) 16.296 22.537 ( 14.197 -0.000 -7.765) 16.182 23.107 ( -7.772 0.000 2.704) 8.229 23.526 ( -2.264 0.000 1.030) 2.487 24.087 ( -4.265 0.000 3.989) 5.839 24.231 ( 1.948 -0.000 -7.216) 7.475 ======================= Grid point 277 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 5.122 3.687 -2.699) 6.864 1.826 ( -3.914 -9.759 -0.306) 10.519 2.025 ( 13.594 3.787 -7.081) 15.789 2.078 ( 8.293 2.090 0.710) 8.582 2.321 ( 5.589 9.210 7.577) 13.171 2.475 ( 6.642 -0.044 2.012) 6.940 2.671 ( 5.853 2.244 -6.388) 8.950 2.841 ( 0.800 -4.137 2.069) 4.694 3.128 ( -1.282 0.228 4.659) 4.838 3.184 ( 7.881 4.130 -1.627) 9.046 3.311 ( 1.569 0.337 -6.189) 6.394 3.505 ( -0.225 4.212 1.386) 4.440 3.746 ( 2.535 3.026 0.464) 3.975 3.769 ( 5.664 -0.173 -6.206) 8.404 4.006 ( -3.167 7.005 0.131) 7.689 4.114 ( 3.609 -1.524 -4.026) 5.617 4.306 ( 5.779 -9.191 -4.727) 11.841 4.494 ( 3.640 3.252 -4.391) 6.566 4.531 ( -0.891 -0.177 -0.419) 1.001 4.714 ( -4.079 -3.837 -1.268) 5.742 5.296 ( 2.361 14.036 2.510) 14.452 5.486 ( -1.081 2.132 4.315) 4.933 5.699 ( 16.341 -7.600 0.132) 18.022 5.811 ( -3.895 -0.444 5.632) 6.862 5.888 ( -5.906 2.482 2.145) 6.756 6.045 ( -2.445 -6.307 3.499) 7.616 6.335 ( 2.609 8.450 -4.248) 9.811 6.442 ( -0.775 0.931 9.170) 9.250 6.458 ( 4.779 2.859 2.526) 6.115 6.689 ( -8.276 -9.252 -5.223) 13.468 7.148 ( 1.005 3.353 -3.349) 4.844 7.240 ( 1.004 -2.830 -6.875) 7.502 7.398 ( 2.384 7.830 4.109) 9.159 7.665 ( 1.243 -3.097 -4.143) 5.320 7.921 ( -2.295 4.709 4.192) 6.709 8.017 ( -3.965 3.432 5.986) 7.958 8.215 ( -2.908 -6.420 0.207) 7.051 8.351 ( -6.805 -6.133 -4.680) 10.287 8.985 ( 4.650 2.719 12.758) 13.849 9.197 ( 4.250 0.946 -3.115) 5.354 9.311 ( 5.481 2.787 2.872) 6.786 9.554 ( 2.219 0.875 -6.024) 6.479 9.728 ( 2.722 1.378 -0.761) 3.144 9.789 ( -1.190 -2.413 3.299) 4.257 10.625 ( 5.444 2.397 -0.548) 5.974 10.750 ( -0.884 -0.681 -1.960) 2.256 11.647 ( -7.860 1.162 -0.595) 7.967 11.727 ( -8.729 -2.163 -0.830) 9.031 12.878 ( 11.766 2.255 5.001) 12.982 13.154 ( 1.076 4.009 -3.573) 5.477 13.345 ( -9.253 0.669 12.194) 15.322 13.738 ( -7.175 -3.447 -3.991) 8.905 14.007 ( 0.491 2.273 8.483) 8.796 14.094 ( 6.435 5.069 -14.495) 16.650 14.200 ( -2.243 -2.049 7.665) 8.245 14.551 ( -0.102 -1.397 0.871) 1.650 14.733 ( -1.898 -0.361 -2.073) 2.834 14.768 ( 2.017 -0.742 -4.923) 5.371 15.467 ( 2.174 7.922 -0.888) 8.262 15.614 ( -6.820 -1.162 5.947) 9.123 15.893 ( 4.365 -0.906 -5.362) 6.974 16.106 ( -6.435 -12.859 -1.975) 14.514 16.481 ( 9.814 -6.537 -11.055) 16.164 16.805 ( -12.863 -3.699 11.001) 17.326 17.746 ( -0.406 -3.409 3.256) 4.732 18.208 ( -9.717 0.073 -4.862) 10.866 19.011 ( 4.292 3.122 -2.323) 5.794 19.518 ( -7.094 0.685 -3.989) 8.168 19.692 ( 5.987 0.921 -1.979) 6.373 19.899 ( -5.142 0.302 2.443) 5.701 20.786 ( 6.646 1.033 3.420) 7.546 21.079 ( 2.092 2.077 -5.330) 6.090 21.922 ( 10.600 4.061 13.364) 17.534 22.626 ( 3.487 -1.533 -10.782) 11.435 23.090 ( -1.259 -3.697 6.140) 7.277 23.490 ( -4.466 -0.595 -0.877) 4.590 24.062 ( -2.694 0.919 5.380) 6.086 24.207 ( 0.701 -0.702 -7.734) 7.798 ======================= Grid point 278 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 6.529 -0.206 -0.041) 6.533 1.808 ( -5.280 2.868 0.395) 6.022 2.084 ( 1.644 5.301 2.742) 6.190 2.101 ( 6.222 -2.391 -8.077) 10.472 2.303 ( 5.316 10.347 7.449) 13.813 2.449 ( 0.625 7.040 -4.336) 8.292 2.750 ( 9.756 -0.259 -3.483) 10.362 2.887 ( -3.810 -2.126 3.264) 5.449 3.147 ( -0.240 -1.307 4.994) 5.167 3.203 ( 4.728 3.645 -4.087) 7.235 3.284 ( 4.402 3.730 -4.041) 7.043 3.419 ( -4.111 6.158 1.718) 7.601 3.714 ( 1.540 5.348 0.439) 5.583 3.779 ( -1.566 1.536 -4.544) 5.046 3.958 ( 6.905 3.109 5.101) 9.131 4.131 ( 0.992 -1.731 -7.080) 7.356 4.435 ( 1.943 -3.193 1.405) 3.993 4.471 ( 4.507 3.860 -4.222) 7.283 4.524 ( -1.538 -2.798 -1.493) 3.525 4.654 ( -10.549 -2.110 -0.319) 10.763 5.154 ( 5.307 15.011 2.979) 16.198 5.380 ( -8.582 9.595 2.082) 13.040 5.718 ( 2.198 5.315 -1.523) 5.950 5.795 ( -6.614 2.950 4.209) 8.377 6.023 ( 9.590 -7.071 -2.479) 12.170 6.171 ( -1.495 -2.215 0.062) 2.673 6.236 ( 4.676 -5.862 4.731) 8.867 6.459 ( 3.396 4.528 -0.522) 5.684 6.546 ( 2.292 -1.167 7.227) 7.671 6.700 ( -5.954 -9.972 -5.271) 12.754 7.082 ( 4.280 6.522 -4.253) 8.885 7.199 ( -5.563 1.510 -1.883) 6.064 7.402 ( 4.391 2.383 4.773) 6.910 7.582 ( -4.573 4.235 -4.775) 7.852 7.915 ( 3.303 1.481 1.853) 4.067 7.991 ( -2.811 1.067 3.520) 4.629 8.282 ( 2.076 -6.927 -2.092) 7.528 8.369 ( -6.191 -9.412 0.425) 11.273 9.058 ( 3.474 3.954 9.016) 10.440 9.171 ( 0.220 2.948 -3.897) 4.892 9.349 ( 6.682 5.398 0.393) 8.599 9.490 ( -4.042 3.424 -1.067) 5.404 9.760 ( 5.441 -0.479 -4.980) 7.391 9.812 ( -3.084 -1.546 4.504) 5.673 10.647 ( 4.330 2.536 0.050) 5.018 10.732 ( -1.379 0.464 -1.593) 2.157 11.570 ( -2.731 -0.173 0.197) 2.743 11.646 ( -7.176 -2.018 -1.422) 7.589 12.945 ( 7.376 7.389 -1.096) 10.498 13.050 ( -4.209 8.392 3.567) 10.043 13.398 ( 4.523 -5.711 4.773) 8.709 13.668 ( -10.192 -5.173 -2.376) 11.674 14.018 ( -2.475 2.848 10.786) 11.427 14.044 ( 8.993 3.442 -14.490) 17.397 14.235 ( -1.737 1.628 10.207) 10.481 14.439 ( -5.197 6.307 -10.091) 12.986 14.749 ( 0.550 -2.436 5.018) 5.605 14.809 ( 0.999 -3.571 -3.752) 5.275 15.444 ( 6.175 2.256 -1.966) 6.862 15.573 ( -7.647 -1.058 5.808) 9.661 15.978 ( 7.699 -4.749 -2.741) 9.452 16.162 ( -5.303 -9.278 -4.019) 11.417 16.662 ( 6.573 -11.530 -7.502) 15.245 16.778 ( -11.088 -6.085 9.337) 15.721 17.873 ( 2.218 -7.734 8.186) 11.478 18.083 ( -6.077 -3.102 -7.515) 10.150 19.043 ( 8.077 3.653 3.157) 9.410 19.364 ( -10.046 1.161 -6.892) 12.239 19.731 ( 6.048 2.223 -3.148) 7.171 19.834 ( -5.431 1.599 2.490) 6.185 20.866 ( 4.924 2.492 5.641) 7.892 21.017 ( -0.344 3.627 -6.378) 7.345 22.095 ( 14.175 4.333 10.761) 18.317 22.526 ( -8.688 1.045 -9.127) 12.644 23.215 ( 4.445 -4.312 5.369) 8.196 23.421 ( -6.010 -1.081 -3.080) 6.840 24.073 ( -0.078 0.024 6.342) 6.342 24.172 ( -0.588 -0.945 -7.296) 7.381 ======================= Grid point 279 (138/140) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -1.264 11.224 -1.862) 11.448 1.656 ( 1.264 11.224 1.862) 11.448 2.100 ( -2.520 1.977 -3.631) 4.842 2.100 ( 2.520 1.977 3.631) 4.842 2.309 ( -2.096 2.428 -8.044) 8.660 2.309 ( 2.096 2.428 8.044) 8.660 2.834 ( 7.741 1.702 -8.410) 11.556 2.834 ( -7.741 1.702 8.410) 11.556 3.174 ( 1.001 2.499 -2.345) 3.570 3.174 ( -1.001 2.499 2.345) 3.570 3.266 ( -2.149 7.120 -1.615) 7.610 3.266 ( 2.149 7.120 1.615) 7.610 3.685 ( -3.137 2.917 -3.003) 5.232 3.685 ( 3.137 2.917 3.003) 5.232 4.073 ( -4.641 0.331 -8.897) 10.040 4.073 ( 4.641 0.331 8.897) 10.040 4.439 ( 3.194 4.242 -9.841) 11.182 4.439 ( -3.194 4.242 9.841) 11.182 4.580 ( 0.864 -3.578 -1.969) 4.174 4.580 ( -0.864 -3.578 1.969) 4.174 5.080 ( -10.365 13.820 -1.685) 17.357 5.080 ( 10.365 13.820 1.685) 17.357 5.691 ( 5.679 4.527 -5.469) 9.092 5.691 ( -5.679 4.527 5.469) 9.092 6.178 ( 3.514 -6.811 -3.122) 8.275 6.178 ( -3.514 -6.811 3.122) 8.275 6.406 ( -0.583 1.049 -6.538) 6.647 6.406 ( 0.583 1.049 6.538) 6.647 6.696 ( -8.007 -7.271 -5.819) 12.281 6.696 ( 8.007 -7.271 5.819) 12.281 7.065 ( 3.416 4.429 -4.396) 7.114 7.065 ( -3.416 4.429 4.396) 7.114 7.470 ( -0.496 -0.109 -6.693) 6.712 7.470 ( 0.496 -0.109 6.693) 6.712 7.938 ( 3.323 2.491 -9.607) 10.466 7.938 ( -3.323 2.491 9.607) 10.466 8.419 ( 2.372 -7.380 -3.343) 8.442 8.419 ( -2.372 -7.380 3.343) 8.442 9.088 ( -1.405 3.259 -6.232) 7.171 9.088 ( 1.405 3.259 6.232) 7.171 9.349 ( 0.030 6.940 -3.554) 7.797 9.349 ( -0.030 6.940 3.554) 7.797 9.805 ( 4.892 -0.612 -4.865) 6.927 9.805 ( -4.892 -0.612 4.865) 6.927 10.676 ( -3.583 1.517 -1.679) 4.238 10.676 ( 3.583 1.517 1.679) 4.238 11.595 ( -0.138 -2.207 -3.546) 4.180 11.595 ( 0.138 -2.207 3.546) 4.180 12.898 ( 4.205 8.498 -3.102) 9.976 12.898 ( -4.205 8.498 3.102) 9.976 13.594 ( 4.035 -4.800 -15.409) 16.636 13.594 ( -4.035 -4.800 15.409) 16.636 14.016 ( 3.767 2.344 -11.926) 12.725 14.016 ( -3.767 2.344 11.926) 12.725 14.251 ( -0.643 3.631 -10.188) 10.835 14.251 ( 0.643 3.631 10.188) 10.835 14.811 ( 2.872 -0.340 -7.356) 7.904 14.811 ( -2.872 -0.340 7.356) 7.904 15.526 ( 5.206 -2.760 -4.238) 7.258 15.526 ( -5.206 -2.760 4.238) 7.258 16.157 ( -5.578 -5.334 -5.876) 9.700 16.157 ( 5.578 -5.334 5.876) 9.700 16.824 ( 5.114 -9.227 -8.520) 13.561 16.824 ( -5.114 -9.227 8.520) 13.561 18.071 ( -0.441 -9.851 -9.719) 13.845 18.071 ( 0.441 -9.851 9.719) 13.845 19.161 ( -10.920 2.138 -7.603) 13.477 19.161 ( 10.920 2.138 7.603) 13.477 19.752 ( 2.548 2.708 -3.049) 4.809 19.752 ( -2.548 2.708 3.049) 4.809 20.904 ( -0.595 4.431 -8.682) 9.766 20.904 ( 0.595 4.431 8.682) 9.766 22.288 ( -8.279 3.955 -13.509) 16.330 22.288 ( 8.279 3.955 13.509) 16.330 23.345 ( -1.795 -1.734 -7.001) 7.433 23.345 ( 1.795 -1.734 7.001) 7.433 24.131 ( 0.909 -1.249 -8.922) 9.055 24.131 ( -0.909 -1.249 8.922) 9.055 ======================= Grid point 287 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 5.493 -0.000 -9.885) 11.308 1.701 ( -5.546 0.000 7.630) 9.432 2.154 ( 8.504 -0.000 -7.406) 11.277 2.167 ( 2.287 -0.000 2.945) 3.729 2.522 ( 4.544 -0.000 5.951) 7.487 2.553 ( 5.545 -0.000 1.674) 5.792 2.732 ( 8.421 -0.000 -9.362) 12.592 2.811 ( -3.588 0.000 5.893) 6.899 3.115 ( -3.851 0.000 8.664) 9.481 3.237 ( -1.492 0.000 -12.296) 12.387 3.348 ( 11.429 -0.000 -2.774) 11.761 3.521 ( -4.856 0.000 3.862) 6.205 3.785 ( 3.152 -0.000 -2.315) 3.911 3.808 ( 1.289 -0.000 0.707) 1.470 4.035 ( -2.412 0.000 3.189) 3.999 4.064 ( -1.014 0.000 -3.319) 3.470 4.357 ( 13.069 -0.000 -6.510) 14.601 4.522 ( 5.658 -0.000 -9.824) 11.336 4.535 ( -3.142 0.000 6.731) 7.429 4.614 ( -8.596 0.000 1.035) 8.658 5.447 ( -2.293 0.000 1.350) 2.661 5.454 ( 0.662 -0.000 -2.086) 2.189 5.795 ( -5.247 0.000 8.012) 9.577 5.850 ( -3.180 0.000 -3.396) 4.653 5.908 ( 20.397 -0.000 4.867) 20.970 6.037 ( 5.048 -0.000 6.001) 7.842 6.347 ( -8.317 0.000 -6.261) 10.410 6.425 ( -12.733 0.000 -3.952) 13.332 6.523 ( 1.639 -0.000 9.684) 9.821 6.554 ( 6.717 -0.000 -2.647) 7.220 7.167 ( -0.534 0.000 2.125) 2.191 7.200 ( 1.949 -0.000 -7.276) 7.532 7.537 ( 3.287 -0.000 3.766) 4.999 7.625 ( 1.450 -0.000 -4.488) 4.717 7.959 ( -2.739 0.000 6.342) 6.909 8.028 ( -3.317 0.000 -4.315) 5.443 8.112 ( -2.885 0.000 9.410) 9.843 8.211 ( -2.563 0.000 -7.807) 8.217 9.120 ( 1.976 -0.000 11.211) 11.384 9.220 ( 2.254 -0.000 -6.183) 6.581 9.407 ( 3.602 -0.000 6.024) 7.019 9.547 ( 1.157 -0.000 -8.559) 8.637 9.765 ( 3.085 -0.000 -4.354) 5.336 9.769 ( -2.373 0.000 6.514) 6.933 10.701 ( 3.526 -0.000 -0.848) 3.626 10.727 ( -0.205 0.000 -0.796) 0.821 11.575 ( -4.140 0.000 0.658) 4.192 11.619 ( -5.622 0.000 -1.104) 5.730 13.078 ( 10.916 -0.000 3.037) 11.330 13.163 ( 3.974 -0.000 -9.614) 10.403 13.318 ( -10.370 0.000 21.117) 23.526 13.568 ( -8.072 0.000 -9.742) 12.652 14.053 ( -5.266 0.000 13.622) 14.604 14.103 ( 7.779 -0.000 -21.464) 22.830 14.289 ( 4.272 -0.000 14.531) 15.146 14.533 ( -2.183 0.000 -3.380) 4.024 14.710 ( 1.369 -0.000 -5.106) 5.286 14.714 ( -2.965 0.000 -1.470) 3.309 15.547 ( 1.153 -0.000 -3.087) 3.295 15.553 ( -4.070 0.000 4.683) 6.204 15.904 ( 3.588 -0.000 -5.018) 6.169 15.947 ( -4.413 0.000 3.419) 5.582 16.512 ( 12.010 -0.000 -11.354) 16.527 16.689 ( -12.847 0.000 11.350) 17.143 17.774 ( 4.100 -0.000 6.105) 7.354 18.047 ( -9.539 0.000 -7.055) 11.864 19.096 ( 6.578 -0.000 2.509) 7.040 19.381 ( -9.050 0.000 -7.388) 11.683 19.762 ( 6.256 -0.000 -3.145) 7.001 19.858 ( -5.389 0.000 4.153) 6.804 20.901 ( 6.096 -0.000 4.783) 7.748 21.065 ( -1.164 0.000 -5.485) 5.607 22.158 ( 9.611 -0.000 14.383) 17.299 22.536 ( -4.464 0.000 -14.127) 14.816 23.145 ( 6.606 -0.000 6.918) 9.566 23.403 ( -6.935 0.000 -2.844) 7.495 24.077 ( -1.738 0.000 7.379) 7.581 24.159 ( 0.421 -0.000 -8.633) 8.643 ======================= Grid point 288 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.903 -3.672 -8.407) 9.969 1.706 ( -3.903 -3.672 8.407) 9.969 2.158 ( 3.528 3.961 -6.055) 8.050 2.158 ( -3.528 3.961 6.055) 8.050 2.521 ( -2.153 8.022 -4.436) 9.417 2.521 ( 2.153 8.022 4.436) 9.417 2.809 ( 3.875 -2.836 -7.474) 8.884 2.809 ( -3.875 -2.836 7.474) 8.884 3.163 ( 0.293 -1.632 -10.031) 10.167 3.163 ( -0.293 -1.632 10.031) 10.167 3.428 ( 3.987 4.216 -2.125) 6.179 3.428 ( -3.987 4.216 2.125) 6.179 3.791 ( -0.269 2.775 -1.514) 3.173 3.791 ( 0.269 2.775 1.514) 3.173 4.051 ( -1.725 -1.576 -5.132) 5.639 4.051 ( 1.725 -1.576 5.132) 5.639 4.484 ( 1.952 0.181 -2.468) 3.152 4.484 ( -1.952 0.181 2.468) 3.152 4.532 ( 4.466 0.478 -7.598) 8.826 4.532 ( -4.466 0.478 7.598) 8.826 5.398 ( -3.967 6.966 -1.156) 8.100 5.398 ( 3.967 6.966 1.156) 8.100 5.787 ( 1.848 2.104 -5.750) 6.396 5.787 ( -1.848 2.104 5.750) 6.396 6.097 ( -8.744 1.938 -2.404) 9.273 6.097 ( 8.744 1.938 2.404) 9.273 6.313 ( -13.390 -7.051 -5.539) 16.115 6.313 ( 13.390 -7.051 5.539) 16.115 6.585 ( 1.632 -1.222 -7.766) 8.029 6.585 ( -1.632 -1.222 7.766) 8.029 7.168 ( 1.676 1.948 -6.112) 6.630 7.168 ( -1.676 1.948 6.112) 6.630 7.555 ( -4.375 5.193 -4.817) 8.325 7.555 ( 4.375 5.193 4.817) 8.325 7.975 ( 2.491 0.292 -6.034) 6.534 7.975 ( -2.491 0.292 6.034) 6.534 8.200 ( 1.709 -7.059 -6.874) 10.000 8.200 ( -1.709 -7.059 6.874) 10.000 9.175 ( 0.166 2.323 -8.223) 8.546 9.175 ( -0.166 2.323 8.223) 8.546 9.473 ( -1.128 2.309 -7.306) 7.745 9.473 ( 1.128 2.309 7.306) 7.745 9.779 ( 3.803 -0.802 -5.818) 6.997 9.779 ( -3.803 -0.802 5.818) 6.997 10.715 ( -1.339 1.022 -0.875) 1.898 10.715 ( 1.339 1.022 0.875) 1.898 11.567 ( -1.433 -0.300 -1.690) 2.236 11.567 ( 1.433 -0.300 1.690) 2.236 13.109 ( 4.301 6.325 -5.813) 9.606 13.109 ( -4.301 6.325 5.813) 9.606 13.443 ( -1.510 -5.190 -15.762) 16.664 13.443 ( 1.510 -5.190 15.762) 16.664 14.065 ( 6.662 1.125 -17.040) 18.331 14.065 ( -6.662 1.125 17.040) 18.331 14.394 ( -4.788 5.316 -11.651) 13.673 14.394 ( 4.788 5.316 11.651) 13.673 14.732 ( 1.057 -4.258 -6.495) 7.838 14.732 ( -1.057 -4.258 6.495) 7.838 15.528 ( 3.412 1.895 -4.007) 5.594 15.528 ( -3.412 1.895 4.007) 5.594 15.968 ( 5.603 -6.494 -2.946) 9.069 15.968 ( -5.603 -6.494 2.946) 9.069 16.627 ( 11.583 -4.291 -10.449) 16.179 16.627 ( -11.583 -4.291 10.449) 16.179 17.910 ( -6.521 -2.743 -8.175) 10.811 17.910 ( 6.521 -2.743 8.175) 10.811 19.214 ( -9.029 1.288 -6.622) 11.271 19.214 ( 9.029 1.288 6.622) 11.271 19.806 ( 5.604 1.195 -4.009) 6.993 19.806 ( -5.604 1.195 4.009) 6.993 20.987 ( -3.596 1.655 -5.972) 7.165 20.987 ( 3.596 1.655 5.972) 7.165 22.354 ( -8.473 1.208 -14.204) 16.583 22.354 ( 8.473 1.208 14.204) 16.583 23.291 ( -6.929 -1.516 -5.576) 9.022 23.291 ( 6.929 -1.516 5.576) 9.022 24.114 ( 0.677 -0.246 -8.591) 8.622 24.114 ( -0.677 -0.246 8.591) 8.622 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/37908 10.0 297.977 427.195 376.422 -0.000 22.977 -0.000 3/37908 20.0 109.488 114.449 103.412 -0.000 -4.257 -0.000 3/37908 30.0 58.969 55.566 50.547 -0.000 -2.342 -0.000 3/37908 40.0 38.367 34.786 31.634 -0.000 -1.604 -0.000 3/37908 50.0 27.828 24.773 22.520 -0.000 -1.239 -0.000 3/37908 60.0 21.602 19.026 17.310 -0.000 -1.012 -0.000 3/37908 70.0 17.547 15.347 13.987 -0.000 -0.854 -0.000 3/37908 80.0 14.719 12.809 11.702 -0.000 -0.738 -0.000 3/37908 90.0 12.645 10.963 10.041 -0.000 -0.649 -0.000 3/37908 100.0 11.063 9.566 8.785 -0.000 -0.579 -0.000 3/37908 110.0 9.822 8.474 7.803 -0.000 -0.522 -0.000 3/37908 120.0 8.823 7.601 7.017 -0.000 -0.475 -0.000 3/37908 130.0 8.004 6.887 6.374 -0.000 -0.436 -0.000 3/37908 140.0 7.322 6.294 5.838 -0.000 -0.403 -0.000 3/37908 150.0 6.746 5.795 5.387 -0.000 -0.374 -0.000 3/37908 160.0 6.253 5.368 5.000 -0.000 -0.350 -0.000 3/37908 170.0 5.827 5.001 4.667 -0.000 -0.328 -0.000 3/37908 180.0 5.456 4.681 4.376 -0.000 -0.308 -0.000 3/37908 190.0 5.130 4.399 4.119 -0.000 -0.291 -0.000 3/37908 200.0 4.841 4.151 3.892 -0.000 -0.276 -0.000 3/37908 210.0 4.583 3.929 3.690 -0.000 -0.262 -0.000 3/37908 220.0 4.352 3.731 3.508 -0.000 -0.249 -0.000 3/37908 230.0 4.144 3.552 3.343 -0.000 -0.238 -0.000 3/37908 240.0 3.955 3.389 3.194 -0.000 -0.227 -0.000 3/37908 250.0 3.783 3.242 3.058 -0.000 -0.218 -0.000 3/37908 260.0 3.625 3.107 2.933 -0.000 -0.209 -0.000 3/37908 270.0 3.481 2.983 2.818 -0.000 -0.201 -0.000 3/37908 280.0 3.348 2.869 2.713 -0.000 -0.193 -0.000 3/37908 290.0 3.225 2.763 2.615 -0.000 -0.186 -0.000 3/37908 300.0 3.111 2.666 2.524 -0.000 -0.180 -0.000 3/37908 310.0 3.005 2.575 2.439 -0.000 -0.173 -0.000 3/37908 320.0 2.906 2.490 2.360 -0.000 -0.168 -0.000 3/37908 330.0 2.814 2.411 2.286 -0.000 -0.162 -0.000 3/37908 340.0 2.727 2.336 2.217 -0.000 -0.157 -0.000 3/37908 350.0 2.646 2.267 2.152 -0.000 -0.153 -0.000 3/37908 360.0 2.570 2.201 2.091 -0.000 -0.148 -0.000 3/37908 370.0 2.498 2.139 2.033 -0.000 -0.144 -0.000 3/37908 380.0 2.429 2.081 1.978 -0.000 -0.140 -0.000 3/37908 390.0 2.365 2.026 1.926 -0.000 -0.136 -0.000 3/37908 400.0 2.304 1.974 1.877 -0.000 -0.133 -0.000 3/37908 410.0 2.246 1.924 1.830 -0.000 -0.130 -0.000 3/37908 420.0 2.191 1.877 1.786 -0.000 -0.126 -0.000 3/37908 430.0 2.139 1.832 1.744 -0.000 -0.123 -0.000 3/37908 440.0 2.089 1.789 1.704 -0.000 -0.120 -0.000 3/37908 450.0 2.042 1.749 1.665 -0.000 -0.118 -0.000 3/37908 460.0 1.996 1.710 1.629 -0.000 -0.115 -0.000 3/37908 470.0 1.953 1.673 1.594 -0.000 -0.112 -0.000 3/37908 480.0 1.911 1.637 1.560 -0.000 -0.110 -0.000 3/37908 490.0 1.872 1.603 1.528 -0.000 -0.108 -0.000 3/37908 500.0 1.834 1.570 1.497 -0.000 -0.106 -0.000 3/37908 510.0 1.797 1.539 1.467 -0.000 -0.103 -0.000 3/37908 520.0 1.762 1.509 1.439 -0.000 -0.101 -0.000 3/37908 530.0 1.728 1.480 1.411 -0.000 -0.099 -0.000 3/37908 540.0 1.696 1.452 1.385 -0.000 -0.098 -0.000 3/37908 550.0 1.664 1.425 1.360 -0.000 -0.096 -0.000 3/37908 560.0 1.634 1.400 1.335 -0.000 -0.094 -0.000 3/37908 570.0 1.605 1.375 1.312 -0.000 -0.092 -0.000 3/37908 580.0 1.577 1.351 1.289 -0.000 -0.091 -0.000 3/37908 590.0 1.550 1.328 1.267 -0.000 -0.089 -0.000 3/37908 600.0 1.524 1.305 1.246 -0.000 -0.088 -0.000 3/37908 610.0 1.499 1.284 1.225 -0.000 -0.086 -0.000 3/37908 620.0 1.474 1.263 1.205 -0.000 -0.085 -0.000 3/37908 630.0 1.451 1.242 1.186 -0.000 -0.083 -0.000 3/37908 640.0 1.428 1.223 1.167 -0.000 -0.082 -0.000 3/37908 650.0 1.406 1.204 1.149 -0.000 -0.081 -0.000 3/37908 660.0 1.384 1.185 1.132 -0.000 -0.079 -0.000 3/37908 670.0 1.363 1.168 1.115 -0.000 -0.078 -0.000 3/37908 680.0 1.343 1.150 1.099 -0.000 -0.077 -0.000 3/37908 690.0 1.323 1.133 1.083 -0.000 -0.076 -0.000 3/37908 700.0 1.304 1.117 1.067 -0.000 -0.075 -0.000 3/37908 710.0 1.286 1.101 1.052 -0.000 -0.074 -0.000 3/37908 720.0 1.268 1.086 1.037 -0.000 -0.073 -0.000 3/37908 730.0 1.250 1.071 1.023 -0.000 -0.072 -0.000 3/37908 740.0 1.233 1.056 1.009 -0.000 -0.071 -0.000 3/37908 750.0 1.217 1.042 0.996 -0.000 -0.070 -0.000 3/37908 760.0 1.201 1.028 0.983 -0.000 -0.069 -0.000 3/37908 770.0 1.185 1.015 0.970 -0.000 -0.068 -0.000 3/37908 780.0 1.170 1.002 0.957 -0.000 -0.067 -0.000 3/37908 790.0 1.155 0.989 0.945 -0.000 -0.066 -0.000 3/37908 800.0 1.140 0.977 0.933 -0.000 -0.065 -0.000 3/37908 810.0 1.126 0.965 0.922 -0.000 -0.065 -0.000 3/37908 820.0 1.112 0.953 0.911 -0.000 -0.064 -0.000 3/37908 830.0 1.099 0.941 0.900 -0.000 -0.063 -0.000 3/37908 840.0 1.086 0.930 0.889 -0.000 -0.062 -0.000 3/37908 850.0 1.073 0.919 0.878 -0.000 -0.061 -0.000 3/37908 860.0 1.061 0.908 0.868 -0.000 -0.061 -0.000 3/37908 870.0 1.048 0.898 0.858 -0.000 -0.060 -0.000 3/37908 880.0 1.036 0.887 0.848 -0.000 -0.059 -0.000 3/37908 890.0 1.025 0.877 0.839 -0.000 -0.059 -0.000 3/37908 900.0 1.013 0.868 0.829 -0.000 -0.058 -0.000 3/37908 910.0 1.002 0.858 0.820 -0.000 -0.057 -0.000 3/37908 920.0 0.991 0.849 0.811 -0.000 -0.057 -0.000 3/37908 930.0 0.980 0.840 0.803 -0.000 -0.056 -0.000 3/37908 940.0 0.970 0.831 0.794 -0.000 -0.056 -0.000 3/37908 950.0 0.960 0.822 0.786 -0.000 -0.055 -0.000 3/37908 960.0 0.950 0.813 0.778 -0.000 -0.054 -0.000 3/37908 970.0 0.940 0.805 0.770 -0.000 -0.054 -0.000 3/37908 980.0 0.930 0.797 0.762 -0.000 -0.053 -0.000 3/37908 990.0 0.921 0.789 0.754 -0.000 -0.053 -0.000 3/37908 1000.0 0.912 0.781 0.746 -0.000 -0.052 -0.000 3/37908 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:07:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|